2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide

C15H19F2NO2 — CID 91767128

IUPAC2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
SMILESCN(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H19F2NO2/c1-18(13-4-2-3-5-14(13)19)15(20)8-10-6-11(16)9-12(17)7-10/h6-7,9,13-14,19H,2-5,8H2,1H3/t13-,14+/m1/s1
InChIKeyZEHAZXYQHJMRNM-KGLIPLIRSA-N
MW283.32 g/mol
LogP2.27
Rot. Bonds3

About 2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide

2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide (PubChem CID 91767128) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
PubChem CID91767128
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
SMILESCN(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H19F2NO2/c1-18(13-4-2-3-5-14(13)19)15(20)8-10-6-11(16)9-12(17)7-10/h6-7,9,13-14,19H,2-5,8H2,1H3/t13-,14+/m1/s1
InChIKeyZEHAZXYQHJMRNM-KGLIPLIRSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 95397472
3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102634743
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 60714854
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035
2-(3,4-difluorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 165362286
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102635605
2-cyclobutyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 103164780
N-(2-hydroxycyclohexyl)-2-methoxy-N-methylacetamide
CID 102634610
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634876
5-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102635118
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide (CID 91767128) is 2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide is CN(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide?
The InChIKey is ZEHAZXYQHJMRNM-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-18(13-4-2-3-5-14(13)19)15(20)8-10-6-11(16)9-12(17)7-10/h6-7,9,13-14,19H,2-5,8H2,1H3/t13-,14+/m1/s1.
What are the key properties of 2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide?
2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide has a molecular weight of 283.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide is sourced from PubChem (CID 91767128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).