4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide

C16H15ClN2O2 — CID 131930892

IUPAC4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C16H15ClN2O2/c1-10-9-11(15(20)18-2)7-8-14(10)19-16(21)12-5-3-4-6-13(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyDBVMXQFUOOVVAA-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.26
Rot. Bonds3

About 4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide

4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide (PubChem CID 131930892) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
PubChem CID131930892
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C16H15ClN2O2/c1-10-9-11(15(20)18-2)7-8-14(10)19-16(21)12-5-3-4-6-13(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyDBVMXQFUOOVVAA-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
N-(2-chlorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210368
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide
CID 166371707
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
CID 39132668
2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60794828

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide (CID 131930892) is 4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)c2ccccc2Cl)c(C)c1.
What is the InChIKey of 4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide?
The InChIKey is DBVMXQFUOOVVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-9-11(15(20)18-2)7-8-14(10)19-16(21)12-5-3-4-6-13(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide?
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide has a molecular weight of 302.76 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 131930892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).