3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide

C22H19ClN2O2 — CID 109054323

IUPAC3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)c1
InChIInChI=1S/C22H19ClN2O2/c1-15-6-4-7-16(12-15)14-24-21(26)17-8-5-9-18(13-17)22(27)25-20-11-3-2-10-19(20)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyACHPLPJWKYGIJM-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.83
Rot. Bonds5

About 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide

3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054323) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054323
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)c1
InChIInChI=1S/C22H19ClN2O2/c1-15-6-4-7-16(12-15)14-24-21(26)17-8-5-9-18(13-17)22(27)25-20-11-3-2-10-19(20)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyACHPLPJWKYGIJM-UHFFFAOYSA-N
XLogP4.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide 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-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-N-(2-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055210
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112997768
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
5-N-(2,3-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105213
2-N-(2-ethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085719

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide (CID 109054323) is 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide is Cc1cccc(CNC(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)c1.
What is the InChIKey of 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is ACHPLPJWKYGIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-15-6-4-7-16(12-15)14-24-21(26)17-8-5-9-18(13-17)22(27)25-20-11-3-2-10-19(20)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 378.86 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).