3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid

C15H18FNO3 — CID 63783681

IUPAC3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCCC(C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C15H18FNO3/c1-17(13-7-3-6-12(16)9-13)14(18)10-4-2-5-11(8-10)15(19)20/h3,6-7,9-11H,2,4-5,8H2,1H3,(H,19,20)
InChIKeyWGHKKYNILIONKF-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.68
Rot. Bonds3

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

3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783681) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783681
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCCC(C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C15H18FNO3/c1-17(13-7-3-6-12(16)9-13)14(18)10-4-2-5-11(8-10)15(19)20/h3,6-7,9-11H,2,4-5,8H2,1H3,(H,19,20)
InChIKeyWGHKKYNILIONKF-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637
(1S,6R)-6-[(3-fluorophenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962361
1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744236
3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550889
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
4-[methyl-(3-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674140
2-[(3-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342897
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304
N-(3-fluorophenyl)-N,5-dimethylpiperazine-2-carboxamide
CID 63103326

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63783681) is 3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid is CN(C(=O)C1CCCC(C(=O)O)C1)c1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WGHKKYNILIONKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-17(13-7-3-6-12(16)9-13)14(18)10-4-2-5-11(8-10)15(19)20/h3,6-7,9-11H,2,4-5,8H2,1H3,(H,19,20).
What are the key properties of 3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).