2-Chlorodiazepam
PubChem CID: 76168
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Diclazepam, 2-Chlorodiazepam, 2894-68-0, Chlorodiazepam, 2'-Chlorodiazepam, 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-, Ro 5-3448, 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one, HSDB 6959, 7-chloro-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one, 070818R7PB, 2-CHLORODIAZEPAM [HSDB], DTXSID30183138, 7-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one, o-Chlorodiazepam, 1-METHYL-7-CHLORO-5-(2-CHLOROPHENYL)-1H-1,4-BENZODIAZEPINE-2(3H)-ONE, UNII-070818R7PB, 7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-Benzodiazepin-2-one, 2'-Chlorodiazepam, 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one, Chlorodiazepam, Ro 5-3448, 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-, Diclazepam, CHEMBL268248, SCHEMBL7486030, DTXCID40105629, DEA NO. 2789, VPAYQWRBBOGGPY-UHFFFAOYSA-N, Diclazepam 1.0 mg/ml in Methanol, BCP09420, Ro5-3448, AKOS024258091, CS-3556, NCGC00371636-03, HY-18631, NS00017387, A11521, C22813, Q15408412, 7-chloro-5-(2'-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one, 111-026-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C2CCCCC2)C2CCCCC2C1 |
| Deep Smiles | Clcccccc6)C=NCC=O)N7C)))))cccccc6Cl |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Benzodiazepines |
| Scaffold Graph Node Level | OC1CNC(C2CCCCC2)C2CCCCC2N1 |
| Classyfire Subclass | 1,4-benzodiazepines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one |
| Class | Benzodiazepines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.1 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1,4-benzodiazepines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12Cl2N2O |
| Scaffold Graph Node Bond Level | O=C1CN=C(c2ccccc2)c2ccccc2N1 |
| Inchi Key | VPAYQWRBBOGGPY-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2'-chloro-diazepam |
| Esol Class | Moderately soluble |
| Functional Groups | cC(c)=NC, cCl, cN(C)C(C)=O |
| Compound Name | 2-Chlorodiazepam |
| Kingdom | Organic compounds |
| Exact Mass | 318.033 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.033 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 319.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3 |
| Smiles | CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 1,4-benzodiazepines |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279