N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide

C22H17ClN2O2 — CID 112833774

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide
SMILESCOc1ccc(Cl)cc1CNC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C22H17ClN2O2/c1-27-21-11-10-17(23)12-16(21)14-25-22(26)20-9-5-4-8-19(20)18-7-3-2-6-15(18)13-24/h2-12H,14H2,1H3,(H,25,26)
InChIKeyITEYCDBZROTFPN-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.82
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide (PubChem CID 112833774) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide
PubChem CID112833774
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide
SMILESCOc1ccc(Cl)cc1CNC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C22H17ClN2O2/c1-27-21-11-10-17(23)12-16(21)14-25-22(26)20-9-5-4-8-19(20)18-7-3-2-6-15(18)13-24/h2-12H,14H2,1H3,(H,25,26)
InChIKeyITEYCDBZROTFPN-UHFFFAOYSA-N
XLogP4.82
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide 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

N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55878950
(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616446
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786211
5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
CID 4811622
2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 60513634
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 78887246
N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide
CID 167835973
2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 26819843
4-acetyl-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
CID 133456273

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide (CID 112833774) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide is COc1ccc(Cl)cc1CNC(=O)c1ccccc1-c1ccccc1C#N.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide?
The InChIKey is ITEYCDBZROTFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-27-21-11-10-17(23)12-16(21)14-25-22(26)20-9-5-4-8-19(20)18-7-3-2-6-15(18)13-24/h2-12H,14H2,1H3,(H,25,26).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide has a molecular weight of 376.84 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide is sourced from PubChem (CID 112833774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).