Carbanilide
PubChem CID: 7595
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| Compound Synonyms | 1,3-Diphenylurea, 102-07-8, N,N'-Diphenylurea, CARBANILIDE, Diphenylurea, Urea, N,N'-diphenyl-, Diphenylcarbamide, s-Diphenylurea, sym-Diphenylurea, Acardite, Acardite I, N-Phenyl-N'-phenylurea, 1,3-Diphenylcarbamide, Karbanilid, N,N'-Difenylmocovina, USAF EK-534, Urea, 1,3-diphenyl-, Karbanilid [Czech], 1,3-diphenyl-urea, AD 30, Diphenylurea, 1,3-, N,N'-Difenylmocovina [Czech], CCRIS 4634, NSC 227401, HSDB 2757, EINECS 203-003-7, 94YD8RMX5B, BRN 0782650, DTXSID2025183, CHEBI:41320, AI3-52320, Urea-based compound, 7, CARBANILIDE [MI], MFCD00003017, CARBANILIDE [HSDB], NSC-227401, DTXCID305183, 4-12-00-00741 (Beilstein Handbook Reference), Urea,3-diphenyl-, Urea,N'-diphenyl-, WLN: RMVMR, 1,3-Diphenylurea, Carbanalide, SR-01000398115, UNII-94YD8RMX5B, sDiphenylurea, symDiphenylurea, bis-phenyl-urea, 3-diphenylurea, n,n'diphenylurea, 1,3Diphenylurea, Zeonet U, 2zjf, NPhenylN'phenylurea, n,n'-diphenyl-urea, N,N'Difenylmocovina, N, N'-diphenylurea, N,N'-diphenyl urea, 1, 3-Diphenylurea, 1,3Diphenylcarbamide, Urea, 1,3diphenyl, Urea, N,N'diphenyl, Kinome_598, Kinome_627, N,N'-bis-Phenylurea, Spectrum_000422, SpecPlus_000406, Spectrum2_001838, Spectrum3_001328, Spectrum4_001561, Spectrum5_000182, 1 pound not3-diphynylurea, 1,3-Diphenylurea, 98%, Oprea1_527136, BSPBio_003055, CBDivE_002165, KBioGR_002082, KBioSS_000902, SPECTRUM211126, MLS002207104, DivK1c_006502, SCHEMBL133103, SPBio_001915, CHEMBL354676, SCHEMBL21313806, BDBM25725, KBio1_001446, KBio2_000902, KBio2_003470, KBio2_006038, KBio3_002275, NSC8485, 3e85, DTXCID601520407, DTXSID201036197, NSC-8485, RKL10128, Tox21_200068, CCG-38465, GEO-04213, ICCB1_000093, NSC227401, NSC794585, STK328350, AKOS000312994, CS-W015002, DB07496, FS-4202, HY-W014286, NSC-794585, SDCCGMLS-0066513.P001, NCGC00091344-01, NCGC00091344-02, NCGC00091344-03, NCGC00091344-04, NCGC00091344-05, NCGC00257622-01, AC-12855, CAS-102-07-8, SMR000112141, Carbanalide 100 microg/mL in Acetonitrile, EU-0067898, NS00010552, F20340, 1,3-Diphenylurea, Vetec(TM) reagent grade, 98%, AQ-917/40171059, SR-01000398115-1, SR-01000398115-2, BRD-K13027645-001-02-0, Q27096716, 203-003-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CC1CCCCC1)CC1CCCCC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | O=CNcccccc6)))))))Ncccccc6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC(NC1CCCCC1)NC1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-diphenylurea |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.0 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H12N2O |
| Scaffold Graph Node Bond Level | O=C(Nc1ccccc1)Nc1ccccc1 |
| Inchi Key | GWEHVDNNLFDJLR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 1,3-Diphenylcarbamide, Diphenylcarbamide, Diphenylurea, N,N'-diphenylurea, N-Phenyl-n'-phenylurea, S-Diphenylurea, Sym-diphenylurea, 1, 3-Diphenylurea, 1,3-Diphenyl-urea, 1,3-Diphenylurea, Acardite, Acardite I, BSU, Centralite, Karbanilid, N,N'-difenylmocovina, N,N'-diphenyl-urea, N,N-Diphenylurea, Urea-based compound, 7, Zeonet u, Carbanilide, 1,3-diphenylurea |
| Esol Class | Soluble |
| Functional Groups | cNC(=O)Nc |
| Compound Name | Carbanilide |
| Kingdom | Organic compounds |
| Exact Mass | 212.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.095 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 212.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) |
| Smiles | C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzene and substituted derivatives |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Cocos Nucifera (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279