(3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one

C29H23ClN2O2 — CID 15167771

IUPAC(3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H23ClN2O2/c30-23-13-16-26-25(18-23)28(22-9-5-2-6-10-22)31-27(29(33)32-26)17-20-11-14-24(15-12-20)34-19-21-7-3-1-4-8-21/h1-16,18,27H,17,19H2,(H,32,33)/t27-/m1/s1
InChIKeyTXXWUTGOCORANI-HHHXNRCGSA-N
MW466.97 g/mol
LogP6.32
Rot. Bonds6

About (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one

(3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 15167771) has the molecular formula C29H23ClN2O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name(3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID15167771
Molecular FormulaC29H23ClN2O2
Molecular Weight466.97 g/mol
Exact Mass466.14
IUPAC Name(3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H23ClN2O2/c30-23-13-16-26-25(18-23)28(22-9-5-2-6-10-22)31-27(29(33)32-26)17-20-11-14-24(15-12-20)34-19-21-7-3-1-4-8-21/h1-16,18,27H,17,19H2,(H,32,33)/t27-/m1/s1
InChIKeyTXXWUTGOCORANI-HHHXNRCGSA-N
XLogP6.32
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-phenoxyethyl)-5-phenyl-
CID 213946
N-(2-(7-chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-4(5H)-yl)-2-oxoethyl)-3-(4-methoxyphenyl)propanamide
CID 44578913
7-Chloro-1,3-dihydro-5-(3-methoxyphenyl)-2H-1,4-benzodiazepin-2-one
CID 12522161
7-Chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 12947025
7-Chloro-5-(4-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 15162781
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-phenoxypropyl)-5-phenyl-
CID 213947
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-5-phenyl-1-(2-(p-tolyloxy)ethyl)-
CID 213948
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(2-(p-aminophenoxy)ethyl)-7-chloro-5-phenyl-
CID 213949
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(p-chlorophenoxy)ethyl)-5-phenyl-
CID 213950
7-Chloro-1,3-dihydro-5-(4-methoxyphenyl)-1-methyl-3-(2-naphthalenylmethyl)-2H-1,4-benzodiazepin-2-one
CID 11712181
7-Chloro-1,3-dihydro-5-(4-methoxyphenyl)-1-methyl-2H-1,4-benzodiazepin-2-one
CID 3085818
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-((4-hydroxyphenyl)methyl)-5-phenyl-, (S)-
CID 39759

Frequently Asked Questions

What is the IUPAC name of (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one (CID 15167771) is (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is TXXWUTGOCORANI-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H23ClN2O2/c30-23-13-16-26-25(18-23)28(22-9-5-2-6-10-22)31-27(29(33)32-26)17-20-11-14-24(15-12-20)34-19-21-7-3-1-4-8-21/h1-16,18,27H,17,19H2,(H,32,33)/t27-/m1/s1.
What are the key properties of (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one?
(3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 466.97 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-chloro-5-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 15167771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).