2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide

C25H24ClN3O — CID 13071890

IUPAC2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide
SMILESCN1c2ccccc2C(c2ccccc2)=NCC1CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C25H24ClN3O/c1-29-20(16-27-24(30)15-19-11-5-7-13-22(19)26)17-28-25(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,20H,15-17H2,1H3,(H,27,30)
InChIKeyYOMWUHQEUYQAPL-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.35
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide

2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide (PubChem CID 13071890) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide
PubChem CID13071890
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide
SMILESCN1c2ccccc2C(c2ccccc2)=NCC1CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C25H24ClN3O/c1-29-20(16-27-24(30)15-19-11-5-7-13-22(19)26)17-28-25(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,20H,15-17H2,1H3,(H,27,30)
InChIKeyYOMWUHQEUYQAPL-UHFFFAOYSA-N
XLogP4.35
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(8-methoxy-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 70567590
4-chloro-N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
CID 10718445
N-[(1-methyl-5-thiophen-3-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 3069431
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone
CID 54495525
2-(chloromethyl)-1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepine
CID 12923440
N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]-1H-indole-2-carboxamide
CID 10527816
4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
CID 66778062
2-(2-chlorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110710393
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone
CID 54272822
2-(2-chlorophenyl)-N-(2-phenylphenyl)acetamide
CID 26727185

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide (CID 13071890) is 2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide is CN1c2ccccc2C(c2ccccc2)=NCC1CNC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide?
The InChIKey is YOMWUHQEUYQAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-29-20(16-27-24(30)15-19-11-5-7-13-22(19)26)17-28-25(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,20H,15-17H2,1H3,(H,27,30).
What are the key properties of 2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide?
2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide has a molecular weight of 417.94 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide is sourced from PubChem (CID 13071890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).