1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid

C12H10ClF2NO3 — CID 83087352

IUPAC1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2c(F)cc(F)cc2Cl)CCC1
InChIInChI=1S/C12H10ClF2NO3/c13-7-4-6(14)5-8(15)9(7)16-10(17)12(11(18)19)2-1-3-12/h4-5H,1-3H2,(H,16,17)(H,18,19)
InChIKeyBZATTWUOGYISQE-UHFFFAOYSA-N
MW289.66 g/mol
LogP2.81
Rot. Bonds3

About 1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 83087352) has the molecular formula C12H10ClF2NO3 and a molecular weight of 289.66 g/mol. Its IUPAC name is 1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID83087352
Molecular FormulaC12H10ClF2NO3
Molecular Weight289.66 g/mol
Exact Mass289.03
IUPAC Name1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2c(F)cc(F)cc2Cl)CCC1
InChIInChI=1S/C12H10ClF2NO3/c13-7-4-6(14)5-8(15)9(7)16-10(17)12(11(18)19)2-1-3-12/h4-5H,1-3H2,(H,16,17)(H,18,19)
InChIKeyBZATTWUOGYISQE-UHFFFAOYSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[(2-chloro-4,6-difluorophenyl)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

1-amino-N-(2-chloro-4,6-difluorophenyl)cyclopentane-1-carboxamide
CID 83087463
N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 83087291
1-[(2,4,6-trichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034929
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597189
N-(2-chloro-4,6-difluorophenyl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 83073829
N-(2-bromo-6-chloro-4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 107615208
N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 83088271
1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 154871885
1-amino-N-(2,6-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 83079201
1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79766775
1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103552439
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
CID 154865208

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 83087352) is 1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2c(F)cc(F)cc2Cl)CCC1.
What is the InChIKey of 1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is BZATTWUOGYISQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO3/c13-7-4-6(14)5-8(15)9(7)16-10(17)12(11(18)19)2-1-3-12/h4-5H,1-3H2,(H,16,17)(H,18,19).
What are the key properties of 1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 289.66 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83087352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).