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

C14H16FNO3 — CID 2856339

IUPAC2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccccc1F
InChIInChI=1S/C14H16FNO3/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(18)19/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)
InChIKeyOLNKCRIJIUDDAR-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.66
Rot. Bonds3

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

2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2856339) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2856339
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccccc1F
InChIInChI=1S/C14H16FNO3/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(18)19/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)
InChIKeyOLNKCRIJIUDDAR-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2856339) is 2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)Nc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is OLNKCRIJIUDDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(18)19/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2856339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).