1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid

C17H22FNO3 — CID 119168113

IUPAC1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(Cc1ccccc1F)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H22FNO3/c1-12(11-13-7-3-4-8-14(13)18)15(20)19-17(16(21)22)9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyMLNQRTSAZBZXLY-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.91
Rot. Bonds5

About 1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid

1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119168113) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119168113
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(Cc1ccccc1F)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H22FNO3/c1-12(11-13-7-3-4-8-14(13)18)15(20)19-17(16(21)22)9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyMLNQRTSAZBZXLY-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 119176556
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119168045
1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162721
1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
CID 69315148
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
1-[3-(2-fluorophenyl)-2-methylpropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168537
2-(2-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106828868
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 119132497

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid (CID 119168113) is 1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid is CC(Cc1ccccc1F)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MLNQRTSAZBZXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-12(11-13-7-3-4-8-14(13)18)15(20)19-17(16(21)22)9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid?
1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 307.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119168113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).