2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide

C16H22FNO2 — CID 110921286

IUPAC2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCC(O)CC1)c1ccccc1F
InChIInChI=1S/C16H22FNO2/c1-16(2,13-5-3-4-6-14(13)17)15(20)18-11-7-9-12(19)10-8-11/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyNXGCRZJHEVSGAD-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.52
Rot. Bonds3

About 2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide

2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide (PubChem CID 110921286) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
PubChem CID110921286
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCC(O)CC1)c1ccccc1F
InChIInChI=1S/C16H22FNO2/c1-16(2,13-5-3-4-6-14(13)17)15(20)18-11-7-9-12(19)10-8-11/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyNXGCRZJHEVSGAD-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119230227
2-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 168736996
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110893819
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
2-fluoro-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 130165281
N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride
CID 119406829
acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene
CID 144811099
2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119512158
N-(4-aminocyclohexyl)-2-methyl-2-phenylpropanamide
CID 43653066
N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide
CID 111121758
1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea
CID 47238706

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide (CID 110921286) is 2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide is CC(C)(C(=O)NC1CCC(O)CC1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
The InChIKey is NXGCRZJHEVSGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-16(2,13-5-3-4-6-14(13)17)15(20)18-11-7-9-12(19)10-8-11/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide has a molecular weight of 279.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide is sourced from PubChem (CID 110921286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).