4-[(4-chlorobenzoyl)amino]butanoic acid

C11H12ClNO3 — CID 2232574

IUPAC4-[(4-chlorobenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c12-9-5-3-8(4-6-9)11(16)13-7-1-2-10(14)15/h3-6H,1-2,7H2,(H,13,16)(H,14,15)
InChIKeyOWNIULYDSMYROG-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.93
Rot. Bonds5

About 4-[(4-chlorobenzoyl)amino]butanoic acid

4-[(4-chlorobenzoyl)amino]butanoic acid (PubChem CID 2232574) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]butanoic acid
PubChem CID2232574
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name4-[(4-chlorobenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c12-9-5-3-8(4-6-9)11(16)13-7-1-2-10(14)15/h3-6H,1-2,7H2,(H,13,16)(H,14,15)
InChIKeyOWNIULYDSMYROG-UHFFFAOYSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(4-chlorobenzoyl)amino]butanoic acid 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

Betamipron
CID 71651
N-(4-Chlorobenzoyl)glycine
CID 26009
3-[(4-chlorobenzoyl)amino]propanoic Acid
CID 1235725
N-butyl-2-chlorobenzamide
CID 347041
4-Chloro-N-(2-hydroxyethyl)benzamide
CID 233979
Butanoic acid, 4-(benzoylamino)-
CID 37118
N-benzyl-4-chlorobenzamide
CID 346668
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
4-Chloro-N-phenethylbenzamide
CID 306479
2-[(3-Chlorophenyl)formamido]acetic acid
CID 448
Benzamide, 4-chloro-N-methyl-
CID 101339
Benurestat
CID 38000

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]butanoic acid (CID 2232574) is 4-[(4-chlorobenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]butanoic acid?
The InChIKey is OWNIULYDSMYROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-9-5-3-8(4-6-9)11(16)13-7-1-2-10(14)15/h3-6H,1-2,7H2,(H,13,16)(H,14,15).
What are the key properties of 4-[(4-chlorobenzoyl)amino]butanoic acid?
4-[(4-chlorobenzoyl)amino]butanoic acid has a molecular weight of 241.67 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]butanoic acid is sourced from PubChem (CID 2232574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).