2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H18FNO3 — CID 2917658

IUPAC2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(F)c(NC(=O)C2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H18FNO3/c1-9-6-7-12(16)13(8-9)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyHTLOKPJDXKMQHC-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.96
Rot. Bonds3

About 2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2917658) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2917658
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(F)c(NC(=O)C2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H18FNO3/c1-9-6-7-12(16)13(8-9)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyHTLOKPJDXKMQHC-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2917658) is 2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(F)c(NC(=O)C2CCCCC2C(=O)O)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is HTLOKPJDXKMQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-9-6-7-12(16)13(8-9)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2917658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).