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

C16H20FNO3 — CID 63783147

IUPAC3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCCC(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c1-10(11-5-7-14(17)8-6-11)18-15(19)12-3-2-4-13(9-12)16(20)21/h5-8,10,12-13H,2-4,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyBRAVCSNRZSJUSS-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.89
Rot. Bonds4

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

3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783147) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783147
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCCC(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c1-10(11-5-7-14(17)8-6-11)18-15(19)12-3-2-4-13(9-12)16(20)21/h5-8,10,12-13H,2-4,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyBRAVCSNRZSJUSS-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881581
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
6-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81351475
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
CID 67223877
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
cis-(1S,3R)-3-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124552970
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63783147) is 3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CC(NC(=O)C1CCCC(C(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is BRAVCSNRZSJUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-10(11-5-7-14(17)8-6-11)18-15(19)12-3-2-4-13(9-12)16(20)21/h5-8,10,12-13H,2-4,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).