Diphenylformamide
PubChem CID: 69081
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| Compound Synonyms | N,N-Diphenylformamide, 607-00-1, Diphenylformamide, Formamide, N,N-diphenyl-, Formanilide, N-phenyl-, Formyldiphenylamine, NSC 3864, EINECS 210-129-6, N-Formyldiphenylamine, UNII-FF0X003442, AI3-01800, NSC-3864, N-PHENYLFORMANILIDE, MFCD00003282, FF0X003442, DTXSID9022077, DCNUQRBLZWSGAV-UHFFFAOYSA-, Formanilide, Nphenyl, N.N-Diphenylformamide, Formamide,N-diphenyl-, Formamide, N,Ndiphenyl, 1no9, SCHEMBL43388, N,N-Diphenylformamide, 99%, DTXCID102077, NSC3864, HMS1577L14, STK298772, AKOS003792096, CCG-308586, AS-57483, SY051553, DB-053691, CS-0156141, D0890, NS00034432, D70356, AK-968/13465018, Q27277952, 210-129-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | O=CNcccccc6))))))cccccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(NC2CCCCC2)CC1 |
| Classyfire Subclass | Anilides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N-diphenylformamide |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H11NO |
| Scaffold Graph Node Bond Level | c1ccc(Nc2ccccc2)cc1 |
| Inchi Key | DCNUQRBLZWSGAV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | n,n-diphenylformamide |
| Esol Class | Soluble |
| Functional Groups | cN(c)C=O |
| Compound Name | Diphenylformamide |
| Exact Mass | 197.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 197.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 197.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H11NO/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H |
| Smiles | C1=CC=C(C=C1)N(C=O)C2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712111