2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H15ClFNO3 — CID 2966954

IUPAC2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFNO3/c15-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)
InChIKeyHTWUSTOMSPCPGY-UHFFFAOYSA-N
MW299.73 g/mol
LogP3.31
Rot. Bonds3

About 2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2966954) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2966954
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Name2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFNO3/c15-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)
InChIKeyHTWUSTOMSPCPGY-UHFFFAOYSA-N
XLogP3.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2966954) is 2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is HTWUSTOMSPCPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c15-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 299.73 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2966954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).