2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid

C14H16ClNO3 — CID 119178935

IUPAC2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
SMILESCCC1(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CCC1
InChIInChI=1S/C14H16ClNO3/c1-2-14(6-3-7-14)13(19)16-9-4-5-10(12(17)18)11(15)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyCHMSEEIMUUJZQA-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.56
Rot. Bonds4

About 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid

2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid (PubChem CID 119178935) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
PubChem CID119178935
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
SMILESCCC1(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CCC1
InChIInChI=1S/C14H16ClNO3/c1-2-14(6-3-7-14)13(19)16-9-4-5-10(12(17)18)11(15)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyCHMSEEIMUUJZQA-UHFFFAOYSA-N
XLogP3.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic 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

4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
CID 115435206
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486
4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
CID 63135020
N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide
CID 164882968
2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830913
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
CID 64555277
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
CID 115448230
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid (CID 119178935) is 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid is CCC1(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CCC1.
What is the InChIKey of 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid?
The InChIKey is CHMSEEIMUUJZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-2-14(6-3-7-14)13(19)16-9-4-5-10(12(17)18)11(15)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid?
2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid has a molecular weight of 281.74 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 119178935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).