2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide

C16H22FNO2 — CID 65119061

IUPAC2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(O)(CNC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H22FNO2/c1-12-6-8-16(20,9-7-12)11-18-15(19)10-13-4-2-3-5-14(13)17/h2-5,12,20H,6-11H2,1H3,(H,18,19)
InChIKeyKWNGBXCESHMPFY-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.43
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide

2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide (PubChem CID 65119061) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
PubChem CID65119061
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(O)(CNC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H22FNO2/c1-12-6-8-16(20,9-7-12)11-18-15(19)10-13-4-2-3-5-14(13)17/h2-5,12,20H,6-11H2,1H3,(H,18,19)
InChIKeyKWNGBXCESHMPFY-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65120287
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722817
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121812
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea
CID 65121668
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
CID 65119986
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 65118974

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide (CID 65119061) is 2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide is CC1CCC(O)(CNC(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The InChIKey is KWNGBXCESHMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12-6-8-16(20,9-7-12)11-18-15(19)10-13-4-2-3-5-14(13)17/h2-5,12,20H,6-11H2,1H3,(H,18,19).
What are the key properties of 2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide has a molecular weight of 279.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 65119061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).