1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid

C13H14ClNO4 — CID 81158312

IUPAC1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESCOc1cc(Cl)ccc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H14ClNO4/c1-19-10-7-8(14)3-4-9(10)11(16)15-13(12(17)18)5-2-6-13/h3-4,7H,2,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyYBBBBAYZPCSQCW-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.09
Rot. Bonds4

About 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid

1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81158312) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81158312
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESCOc1cc(Cl)ccc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H14ClNO4/c1-19-10-7-8(14)3-4-9(10)11(16)15-13(12(17)18)5-2-6-13/h3-4,7H,2,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyYBBBBAYZPCSQCW-UHFFFAOYSA-N
XLogP2.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic 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-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
CID 118780861
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449594
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 103925830
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
1-[[5-chloro-4-(3-chloro-4-methoxyphenoxy)-2-fluorobenzoyl]amino]cyclopropane-1-carboxylic acid
CID 130184796
1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120684633

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid (CID 81158312) is 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid is COc1cc(Cl)ccc1C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is YBBBBAYZPCSQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-19-10-7-8(14)3-4-9(10)11(16)15-13(12(17)18)5-2-6-13/h3-4,7H,2,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid?
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).