4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid

C13H16ClNO3 — CID 81323373

IUPAC4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid
SMILESCc1cc(Cl)cc(C(=O)NC(C)CCC(=O)O)c1
InChIInChI=1S/C13H16ClNO3/c1-8-5-10(7-11(14)6-8)13(18)15-9(2)3-4-12(16)17/h5-7,9H,3-4H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGUCJLOGTDPVQHE-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.63
Rot. Bonds5

About 4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid

4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid (PubChem CID 81323373) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid
PubChem CID81323373
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid
SMILESCc1cc(Cl)cc(C(=O)NC(C)CCC(=O)O)c1
InChIInChI=1S/C13H16ClNO3/c1-8-5-10(7-11(14)6-8)13(18)15-9(2)3-4-12(16)17/h5-7,9H,3-4H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGUCJLOGTDPVQHE-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-chloro-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 81323454
4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
CID 113397105
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide
CID 106355004
3-chloro-N-(1-cyanoethyl)-5-methylbenzamide
CID 81007451
N-but-3-yn-2-yl-3-chloro-5-methylbenzamide
CID 114389858
2-[(3-chloro-5-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 81323206
3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305934
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid
CID 120534855
3-chloro-N-(1-chlorobutan-2-yl)-5-methylbenzamide
CID 114294418
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid?
The IUPAC name of 4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid (CID 81323373) is 4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid is Cc1cc(Cl)cc(C(=O)NC(C)CCC(=O)O)c1.
What is the InChIKey of 4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid?
The InChIKey is GUCJLOGTDPVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-8-5-10(7-11(14)6-8)13(18)15-9(2)3-4-12(16)17/h5-7,9H,3-4H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid?
4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 81323373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).