2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide

C20H22ClN3O2 — CID 53360131

IUPAC2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)CCN(C)c2cccc(Cl)c21)c1ccccc1
InChIInChI=1S/C20H22ClN3O2/c1-14(15-7-4-3-5-8-15)22-18(25)13-24-19(26)11-12-23(2)17-10-6-9-16(21)20(17)24/h3-10,14H,11-13H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyHBJRHKVOVHULQP-AWEZNQCLSA-N
MW371.87 g/mol
LogP3.39
Rot. Bonds4

About 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide

2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 53360131) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID53360131
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)CCN(C)c2cccc(Cl)c21)c1ccccc1
InChIInChI=1S/C20H22ClN3O2/c1-14(15-7-4-3-5-8-15)22-18(25)13-24-19(26)11-12-23(2)17-10-6-9-16(21)20(17)24/h3-10,14H,11-13H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyHBJRHKVOVHULQP-AWEZNQCLSA-N
XLogP3.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide 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

1-methyl-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one hydrochloride
CID 2824991
N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2535403
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
N-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-2-phenylacetamide
CID 4880486
4-acetyl-7-chloro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 5113339
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
N-[(6S,7R)-18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide
CID 44446557
3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide
CID 655938
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide
CID 2441441
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-tert-butylacetamide
CID 2494142
N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide
CID 2968567

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 53360131) is 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CN1C(=O)CCN(C)c2cccc(Cl)c21)c1ccccc1.
What is the InChIKey of 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is HBJRHKVOVHULQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-14(15-7-4-3-5-8-15)22-18(25)13-24-19(26)11-12-23(2)17-10-6-9-16(21)20(17)24/h3-10,14H,11-13H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide?
2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 371.87 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 53360131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).