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

C16H20FNO3 — CID 3112062

IUPAC2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c17-12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(20)21/h5-8,13-14H,1-4,9-10H2,(H,18,19)(H,20,21)
InChIKeyWSXUCWDHQOSETM-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.38
Rot. Bonds5

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

2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 3112062) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID3112062
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c17-12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(20)21/h5-8,13-14H,1-4,9-10H2,(H,18,19)(H,20,21)
InChIKeyWSXUCWDHQOSETM-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 3112062) is 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WSXUCWDHQOSETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(20)21/h5-8,13-14H,1-4,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3112062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).