N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide

C17H17ClN2O2 — CID 2984948

IUPACN-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-3-16(21)19-13-8-5-12(6-9-13)17(22)20-14-7-4-11(2)15(18)10-14/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFQQMTTJIOMTROI-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.25
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide

N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide (PubChem CID 2984948) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
PubChem CID2984948
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-3-16(21)19-13-8-5-12(6-9-13)17(22)20-14-7-4-11(2)15(18)10-14/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFQQMTTJIOMTROI-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
CID 55724997
1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043760
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
CID 2526021
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide (CID 2984948) is N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide?
The InChIKey is FQQMTTJIOMTROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-3-16(21)19-13-8-5-12(6-9-13)17(22)20-14-7-4-11(2)15(18)10-14/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide?
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide has a molecular weight of 316.79 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide is sourced from PubChem (CID 2984948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).