N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide

C23H21ClN2O2 — CID 112790282

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2Cl)c1
InChIInChI=1S/C23H21ClN2O2/c1-16-8-7-10-17(14-16)22(27)25-21-13-6-4-11-19(21)23(28)26(2)15-18-9-3-5-12-20(18)24/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyPPBYQTIEDGYQID-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.17
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide

N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide (PubChem CID 112790282) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
PubChem CID112790282
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2Cl)c1
InChIInChI=1S/C23H21ClN2O2/c1-16-8-7-10-17(14-16)22(27)25-21-13-6-4-11-19(21)23(28)26(2)15-18-9-3-5-12-20(18)24/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyPPBYQTIEDGYQID-UHFFFAOYSA-N
XLogP5.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 4784886
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 55357677
N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054323

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide (CID 112790282) is N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide is Cc1cccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide?
The InChIKey is PPBYQTIEDGYQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-16-8-7-10-17(14-16)22(27)25-21-13-6-4-11-19(21)23(28)26(2)15-18-9-3-5-12-20(18)24/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide?
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide has a molecular weight of 392.89 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 112790282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).