(4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

C17H15Cl2N3O2 — CID 6976050

IUPAC(4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESC[C@H]1CC(=O)Nc2ccccc2N1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2N3O2/c1-10-9-15(23)20-12-6-2-3-8-14(12)22(10)17(24)21-13-7-4-5-11(18)16(13)19/h2-8,10H,9H2,1H3,(H,20,23)(H,21,24)/t10-/m0/s1
InChIKeyGFBWYHRRCSHXJA-JTQLQIEISA-N
MW364.23 g/mol
LogP4.76
Rot. Bonds1

About (4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

(4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (PubChem CID 6976050) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is (4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
PubChem CID6976050
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name(4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESC[C@H]1CC(=O)Nc2ccccc2N1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2N3O2/c1-10-9-15(23)20-12-6-2-3-8-14(12)22(10)17(24)21-13-7-4-5-11(18)16(13)19/h2-8,10H,9H2,1H3,(H,20,23)(H,21,24)/t10-/m0/s1
InChIKeyGFBWYHRRCSHXJA-JTQLQIEISA-N
XLogP4.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
CID 6934559
N-(2-chlorophenyl)-2-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]acetamide
CID 17494997
N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
CID 2814468
(2R)-N-(3-chloro-2-methylphenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]propanamide
CID 129376860
(4R)-4-methyl-5-[2-(methylamino)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 9391866
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium
CID 8598709
5-(2-fluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 44615674
ethyl N-[2-methyl-3-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]phenyl]carbamate
CID 52728361
3-chloro-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]benzamide
CID 40856134
2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 8810136
N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide
CID 51483205
(4S)-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8636552

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The IUPAC name of (4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (CID 6976050) is (4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.
What is the SMILES notation for (4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The canonical SMILES for (4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of (4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The InChIKey is GFBWYHRRCSHXJA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-10-9-15(23)20-12-6-2-3-8-14(12)22(10)17(24)21-13-7-4-5-11(18)16(13)19/h2-8,10H,9H2,1H3,(H,20,23)(H,21,24)/t10-/m0/s1.
What are the key properties of (4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
(4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide has a molecular weight of 364.23 g/mol, XLogP of 4.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is sourced from PubChem (CID 6976050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).