1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone

C24H21ClN2O2 — CID 2967936

IUPAC1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccc(Cl)cc3)=Nc3ccccc3N2C(C)=O)cc1
InChIInChI=1S/C24H21ClN2O2/c1-16(28)27-23-6-4-3-5-21(23)26-22(17-7-11-19(25)12-8-17)15-24(27)18-9-13-20(29-2)14-10-18/h3-14,24H,15H2,1-2H3
InChIKeyWJIXKUPLKPVOTJ-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.97
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone

1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone (PubChem CID 2967936) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
PubChem CID2967936
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccc(Cl)cc3)=Nc3ccccc3N2C(C)=O)cc1
InChIInChI=1S/C24H21ClN2O2/c1-16(28)27-23-6-4-3-5-21(23)26-22(17-7-11-19(25)12-8-17)15-24(27)18-9-13-20(29-2)14-10-18/h3-14,24H,15H2,1-2H3
InChIKeyWJIXKUPLKPVOTJ-UHFFFAOYSA-N
XLogP5.97
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone 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-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
CID 40637453
2-[4-(1-acetyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenoxy]acetic acid
CID 2728690
1-[(2S)-2-(4-fluorophenyl)-4-(4-iodophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
CID 1279581
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358
[4-[2-acetyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 163544555
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
[2-(1-acetyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenyl] acetate
CID 101489179
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 53029066
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
3-(4-chlorophenyl)-2-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46500935
(3R)-2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 41056967

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone (CID 2967936) is 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone is COc1ccc(C2CC(c3ccc(Cl)cc3)=Nc3ccccc3N2C(C)=O)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone?
The InChIKey is WJIXKUPLKPVOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-16(28)27-23-6-4-3-5-21(23)26-22(17-7-11-19(25)12-8-17)15-24(27)18-9-13-20(29-2)14-10-18/h3-14,24H,15H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone?
1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone has a molecular weight of 404.90 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone is sourced from PubChem (CID 2967936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).