2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide

C17H17ClN2O2 — CID 18891735

IUPAC2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cc1C
InChIInChI=1S/C17H17ClN2O2/c1-11-7-8-13(9-12(11)2)20-16(21)10-19-17(22)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYKRHAURVGBBIJE-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.33
Rot. Bonds4

About 2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide

2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide (PubChem CID 18891735) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
PubChem CID18891735
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cc1C
InChIInChI=1S/C17H17ClN2O2/c1-11-7-8-13(9-12(11)2)20-16(21)10-19-17(22)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYKRHAURVGBBIJE-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 38107413
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide
CID 26954210
N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
CID 108946594
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029427
2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
CID 7973820

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide (CID 18891735) is 2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide is Cc1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cc1C.
What is the InChIKey of 2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide?
The InChIKey is YKRHAURVGBBIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-7-8-13(9-12(11)2)20-16(21)10-19-17(22)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide?
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 18891735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).