2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide

C15H19F2NO2 — CID 103860383

IUPAC2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NC1CCCCC1CO
InChIInChI=1S/C15H19F2NO2/c16-12-6-5-10(7-13(12)17)8-15(20)18-14-4-2-1-3-11(14)9-19/h5-7,11,14,19H,1-4,8-9H2,(H,18,20)
InChIKeyUEBZALWPWJMNQW-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.17
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide

2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 103860383) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID103860383
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NC1CCCCC1CO
InChIInChI=1S/C15H19F2NO2/c16-12-6-5-10(7-13(12)17)8-15(20)18-14-4-2-1-3-11(14)9-19/h5-7,11,14,19H,1-4,8-9H2,(H,18,20)
InChIKeyUEBZALWPWJMNQW-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3,4-difluorophenyl)acetyl]amino]cyclooctane-1-carboxylic acid
CID 120532973
N-[2-(hydroxymethyl)cyclopentyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 103751373
N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
CID 119610887
N-[2-(hydroxymethyl)cyclopentyl]-2-(4-methylphenyl)acetamide
CID 103751406
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
1-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 97329057
1-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 97329056
N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119609283
5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358647
2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798521
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630802
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 110024755

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (CID 103860383) is 2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is O=C(Cc1ccc(F)c(F)c1)NC1CCCCC1CO.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is UEBZALWPWJMNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-12-6-5-10(7-13(12)17)8-15(20)18-14-4-2-1-3-11(14)9-19/h5-7,11,14,19H,1-4,8-9H2,(H,18,20).
What are the key properties of 2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 283.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 103860383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).