2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid

C15H19FN2O3 — CID 64816362

IUPAC2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCCCC1C(=O)O)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-18(13-9-5-3-7-11(13)16)15(21)17-12-8-4-2-6-10(12)14(19)20/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyHSMMBFXELUBYTL-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.61
Rot. Bonds3

About 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid

2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64816362) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64816362
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCCCC1C(=O)O)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-18(13-9-5-3-7-11(13)16)15(21)17-12-8-4-2-6-10(12)14(19)20/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyHSMMBFXELUBYTL-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
CID 174490608
4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216504
1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162694
2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 64812300
2-[[cyclopentyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816118
2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid
CID 117042623
2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid
CID 62409411
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817499
N-(2-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150795
3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030847
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64818051

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid (CID 64816362) is 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)NC1CCCCC1C(=O)O)c1ccccc1F.
What is the InChIKey of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HSMMBFXELUBYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-18(13-9-5-3-7-11(13)16)15(21)17-12-8-4-2-6-10(12)14(19)20/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).