3-chloro-N-(3-oxobutan-2-yl)benzamide

C11H12ClNO2 — CID 64997142

IUPAC3-chloro-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO2/c1-7(8(2)14)13-11(15)9-4-3-5-10(12)6-9/h3-7H,1-2H3,(H,13,15)
InChIKeyLZMWNQPLHDKCPV-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.05
Rot. Bonds3

About 3-chloro-N-(3-oxobutan-2-yl)benzamide

3-chloro-N-(3-oxobutan-2-yl)benzamide (PubChem CID 64997142) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-chloro-N-(3-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-oxobutan-2-yl)benzamide
PubChem CID64997142
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name3-chloro-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO2/c1-7(8(2)14)13-11(15)9-4-3-5-10(12)6-9/h3-7H,1-2H3,(H,13,15)
InChIKeyLZMWNQPLHDKCPV-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(3-oxobutan-2-yl)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-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-chloro-N-[(2S)-3-hydroxybut-3-en-2-yl]benzamide
CID 145361374
3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992872
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide
CID 70989888
N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175
N-[(Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-yl]-3-chlorobenzamide
CID 169263034
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide
CID 65191606
3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996859
3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 40648027

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-oxobutan-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(3-oxobutan-2-yl)benzamide (CID 64997142) is 3-chloro-N-(3-oxobutan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-oxobutan-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(3-oxobutan-2-yl)benzamide is CC(=O)C(C)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-oxobutan-2-yl)benzamide?
The InChIKey is LZMWNQPLHDKCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-7(8(2)14)13-11(15)9-4-3-5-10(12)6-9/h3-7H,1-2H3,(H,13,15).
What are the key properties of 3-chloro-N-(3-oxobutan-2-yl)benzamide?
3-chloro-N-(3-oxobutan-2-yl)benzamide has a molecular weight of 225.68 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-oxobutan-2-yl)benzamide is sourced from PubChem (CID 64997142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).