3-chloro-5-methyl-N-(2-oxopropyl)benzamide

C11H12ClNO2 — CID 81323572

IUPAC3-chloro-5-methyl-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C11H12ClNO2/c1-7-3-9(5-10(12)4-7)11(15)13-6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyNUAHNHCBPQKQGR-UHFFFAOYSA-N
MW225.67 g/mol
LogP1.97
Rot. Bonds3

About 3-chloro-5-methyl-N-(2-oxopropyl)benzamide

3-chloro-5-methyl-N-(2-oxopropyl)benzamide (PubChem CID 81323572) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-methyl-N-(2-oxopropyl)benzamide
PubChem CID81323572
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name3-chloro-5-methyl-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C11H12ClNO2/c1-7-3-9(5-10(12)4-7)11(15)13-6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyNUAHNHCBPQKQGR-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-5-methyl-N-(2-oxopropyl)benzamide 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

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide
CID 81325204
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
N-but-3-ynyl-3-chloro-5-methylbenzamide
CID 81002293
N-(5-bromopentyl)-3-chloro-5-methylbenzamide
CID 107321722
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide
CID 103843375
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
CID 113340834
5-[(3-chloro-5-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440696
ethyl 4-[(3-chloro-5-methylbenzoyl)amino]butanoate
CID 80980209

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-N-(2-oxopropyl)benzamide?
The IUPAC name of 3-chloro-5-methyl-N-(2-oxopropyl)benzamide (CID 81323572) is 3-chloro-5-methyl-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 3-chloro-5-methyl-N-(2-oxopropyl)benzamide?
The canonical SMILES for 3-chloro-5-methyl-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1cc(C)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-methyl-N-(2-oxopropyl)benzamide?
The InChIKey is NUAHNHCBPQKQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-7-3-9(5-10(12)4-7)11(15)13-6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of 3-chloro-5-methyl-N-(2-oxopropyl)benzamide?
3-chloro-5-methyl-N-(2-oxopropyl)benzamide has a molecular weight of 225.67 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 81323572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).