2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide

C17H24FNO2 — CID 111446209

IUPAC2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCC1(O)CCCCC1)c1ccccc1F
InChIInChI=1S/C17H24FNO2/c1-16(2,13-8-4-5-9-14(13)18)15(20)19-12-17(21)10-6-3-7-11-17/h4-5,8-9,21H,3,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyBCPKXUCOTZZVNN-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide

2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide (PubChem CID 111446209) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
PubChem CID111446209
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCC1(O)CCCCC1)c1ccccc1F
InChIInChI=1S/C17H24FNO2/c1-16(2,13-8-4-5-9-14(13)18)15(20)19-12-17(21)10-6-3-7-11-17/h4-5,8-9,21H,3,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyBCPKXUCOTZZVNN-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
CID 65122706
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114328802
2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111433244
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
2-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 168736996
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 111445600
N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
CID 56793427
2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119512158
2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
CID 79811142
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86974243

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide (CID 111446209) is 2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide is CC(C)(C(=O)NCC1(O)CCCCC1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The InChIKey is BCPKXUCOTZZVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-16(2,13-8-4-5-9-14(13)18)15(20)19-12-17(21)10-6-3-7-11-17/h4-5,8-9,21H,3,6-7,10-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide has a molecular weight of 293.38 g/mol, XLogP of 2.91, 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-hydroxycyclohexyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 111446209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).