4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid

C14H18ClNO3 — CID 120534855

IUPAC4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid
SMILESCc1cc(Cl)c(C(=O)NC(C)CCC(=O)O)cc1C
InChIInChI=1S/C14H18ClNO3/c1-8-6-11(12(15)7-9(8)2)14(19)16-10(3)4-5-13(17)18/h6-7,10H,4-5H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyDUIHUWNCVCQMFT-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.94
Rot. Bonds5

About 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid

4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid (PubChem CID 120534855) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid
PubChem CID120534855
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid
SMILESCc1cc(Cl)c(C(=O)NC(C)CCC(=O)O)cc1C
InChIInChI=1S/C14H18ClNO3/c1-8-6-11(12(15)7-9(8)2)14(19)16-10(3)4-5-13(17)18/h6-7,10H,4-5H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyDUIHUWNCVCQMFT-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic 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

2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide
CID 110027430
4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
CID 113397105
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 120513273
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308129
4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid
CID 81323373
4-[[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]amino]pentanoic acid
CID 120534859
3-[(2-chloro-4,5-dimethylbenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 120516410
4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid
CID 103932811
4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645329
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534940

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid (CID 120534855) is 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid is Cc1cc(Cl)c(C(=O)NC(C)CCC(=O)O)cc1C.
What is the InChIKey of 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid?
The InChIKey is DUIHUWNCVCQMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-8-6-11(12(15)7-9(8)2)14(19)16-10(3)4-5-13(17)18/h6-7,10H,4-5H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid?
4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 120534855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).