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

C25H24Cl2FN3O — CID 3068760

IUPAC2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride
SMILESCN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)Cc1ccccc1Cl.Cl
InChIInChI=1S/C25H23ClFN3O.ClH/c1-30-18(15-28-24(31)14-17-8-2-5-11-21(17)26)16-29-25(19-9-3-6-12-22(19)27)20-10-4-7-13-23(20)30;/h2-13,18H,14-16H2,1H3,(H,28,31);1H
InChIKeyUIZUEJDEJOMYBZ-UHFFFAOYSA-N
MW472.39 g/mol
LogP4.92
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride (PubChem CID 3068760) has the molecular formula C25H24Cl2FN3O and a molecular weight of 472.39 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride
PubChem CID3068760
Molecular FormulaC25H24Cl2FN3O
Molecular Weight472.39 g/mol
Exact Mass471.13
IUPAC Name2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride
SMILESCN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)Cc1ccccc1Cl.Cl
InChIInChI=1S/C25H23ClFN3O.ClH/c1-30-18(15-28-24(31)14-17-8-2-5-11-21(17)26)16-29-25(19-9-3-6-12-22(19)27)20-10-4-7-13-23(20)30;/h2-13,18H,14-16H2,1H3,(H,28,31);1H
InChIKeyUIZUEJDEJOMYBZ-UHFFFAOYSA-N
XLogP4.92
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride (CID 3068760) is 2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride is CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)Cc1ccccc1Cl.Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is UIZUEJDEJOMYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O.ClH/c1-30-18(15-28-24(31)14-17-8-2-5-11-21(17)26)16-29-25(19-9-3-6-12-22(19)27)20-10-4-7-13-23(20)30;/h2-13,18H,14-16H2,1H3,(H,28,31);1H.
What are the key properties of 2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride?
2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 472.39 g/mol, XLogP of 4.92, 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-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 3068760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).