4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid

C17H22FNO3 — CID 119230227

IUPAC4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C(=O)NC1CCC(C(=O)O)CC1)c1ccccc1F
InChIInChI=1S/C17H22FNO3/c1-17(2,13-5-3-4-6-14(13)18)16(22)19-12-9-7-11(8-10-12)15(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMPBZGCCDKPOURB-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.86
Rot. Bonds4

About 4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119230227) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119230227
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C(=O)NC1CCC(C(=O)O)CC1)c1ccccc1F
InChIInChI=1S/C17H22FNO3/c1-17(2,13-5-3-4-6-14(13)18)16(22)19-12-9-7-11(8-10-12)15(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMPBZGCCDKPOURB-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110921286
cis-(1R,3S)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678355
cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676154
2-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 168736996
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylpropanamide
CID 86965751
2-(2-fluorophenyl)-2-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590209
(3S)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682167
4-[2-(2-bromophenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122023622
4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 14788218
N-(4-aminocyclohexyl)-2-methyl-2-phenylpropanamide
CID 43653066
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid (CID 119230227) is 4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid is CC(C)(C(=O)NC1CCC(C(=O)O)CC1)c1ccccc1F.
What is the InChIKey of 4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MPBZGCCDKPOURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-17(2,13-5-3-4-6-14(13)18)16(22)19-12-9-7-11(8-10-12)15(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 307.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).