N-butanoyl-4-chlorobenzamide

C11H12ClNO2 — CID 70444495

IUPACN-butanoyl-4-chlorobenzamide
SMILESCCCC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2/c1-2-3-10(14)13-11(15)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyHIEVLMABWPQSIL-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.40
Rot. Bonds3

About N-butanoyl-4-chlorobenzamide

N-butanoyl-4-chlorobenzamide (PubChem CID 70444495) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is N-butanoyl-4-chlorobenzamide.

Molecular Properties

Compound NameN-butanoyl-4-chlorobenzamide
PubChem CID70444495
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC NameN-butanoyl-4-chlorobenzamide
SMILESCCCC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2/c1-2-3-10(14)13-11(15)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyHIEVLMABWPQSIL-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butanoyl-4-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butanoyl-4-chlorobenzamide?
The IUPAC name of N-butanoyl-4-chlorobenzamide (CID 70444495) is N-butanoyl-4-chlorobenzamide.
What is the SMILES notation for N-butanoyl-4-chlorobenzamide?
The canonical SMILES for N-butanoyl-4-chlorobenzamide is CCCC(=O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-butanoyl-4-chlorobenzamide?
The InChIKey is HIEVLMABWPQSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-2-3-10(14)13-11(15)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3,(H,13,14,15).
What are the key properties of N-butanoyl-4-chlorobenzamide?
N-butanoyl-4-chlorobenzamide has a molecular weight of 225.68 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butanoyl-4-chlorobenzamide is sourced from PubChem (CID 70444495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).