2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid

C13H13F2NO4 — CID 120977022

IUPAC2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(F)c(NC(=O)C2CCC2C(=O)O)cc1F
InChIInChI=1S/C13H13F2NO4/c1-20-11-5-8(14)10(4-9(11)15)16-12(17)6-2-3-7(6)13(18)19/h4-7H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeySQCHIEMAOKBCQW-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.02
Rot. Bonds4

About 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid

2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977022) has the molecular formula C13H13F2NO4 and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977022
Molecular FormulaC13H13F2NO4
Molecular Weight285.25 g/mol
Exact Mass285.08
IUPAC Name2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(F)c(NC(=O)C2CCC2C(=O)O)cc1F
InChIInChI=1S/C13H13F2NO4/c1-20-11-5-8(14)10(4-9(11)15)16-12(17)6-2-3-7(6)13(18)19/h4-7H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeySQCHIEMAOKBCQW-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]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

2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103584586
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 138013256
1-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086649
1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 126772611
4-methyl-2-[(2,4,5-trifluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390949
2-[(4-fluoro-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114837407
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631536
2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975161
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102852552
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide
CID 119812874

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120977022) is 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid is COc1cc(F)c(NC(=O)C2CCC2C(=O)O)cc1F.
What is the InChIKey of 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is SQCHIEMAOKBCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO4/c1-20-11-5-8(14)10(4-9(11)15)16-12(17)6-2-3-7(6)13(18)19/h4-7H,2-3H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).