3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C16H20FNO3 — CID 63790115

IUPAC3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C16H20FNO3/c17-14-6-4-11(5-7-14)8-9-18-15(19)12-2-1-3-13(10-12)16(20)21/h4-7,12-13H,1-3,8-10H2,(H,18,19)(H,20,21)
InChIKeyCIHQWMSWQFDCFP-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.38
Rot. Bonds5

About 3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63790115) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63790115
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C16H20FNO3/c17-14-6-4-11(5-7-14)8-9-18-15(19)12-2-1-3-13(10-12)16(20)21/h4-7,12-13H,1-3,8-10H2,(H,18,19)(H,20,21)
InChIKeyCIHQWMSWQFDCFP-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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Related Compounds

2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155494382
trans-(1S,3S)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552893
cis-(1S,3R)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552892
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
cis-(1S,3R)-3-[(3-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552932
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63790115) is 3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)NCCc2ccc(F)cc2)C1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is CIHQWMSWQFDCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-14-6-4-11(5-7-14)8-9-18-15(19)12-2-1-3-13(10-12)16(20)21/h4-7,12-13H,1-3,8-10H2,(H,18,19)(H,20,21).
What are the key properties of 3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
3-[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 3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63790115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).