3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide

C17H23F2NO2 — CID 95972468

IUPAC3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide
SMILESC[C@@]1(CNC(=O)CCc2cccc(F)c2F)CCCC[C@H]1O
InChIInChI=1S/C17H23F2NO2/c1-17(10-3-2-7-14(17)21)11-20-15(22)9-8-12-5-4-6-13(18)16(12)19/h4-6,14,21H,2-3,7-11H2,1H3,(H,20,22)/t14-,17+/m1/s1
InChIKeyYFGDYUIHVLSYDL-PBHICJAKSA-N
MW311.37 g/mol
LogP2.95
Rot. Bonds5

About 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide

3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide (PubChem CID 95972468) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide
PubChem CID95972468
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide
SMILESC[C@@]1(CNC(=O)CCc2cccc(F)c2F)CCCC[C@H]1O
InChIInChI=1S/C17H23F2NO2/c1-17(10-3-2-7-14(17)21)11-20-15(22)9-8-12-5-4-6-13(18)16(12)19/h4-6,14,21H,2-3,7-11H2,1H3,(H,20,22)/t14-,17+/m1/s1
InChIKeyYFGDYUIHVLSYDL-PBHICJAKSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446162
N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide
CID 96526783
1-[[3-(2,3-difluorophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544257
2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide
CID 71863517
N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide
CID 99775313
(2S)-3-[3-(2,3-difluorophenyl)propanoylamino]-2-methylpropanoic acid
CID 97324559
3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 111463317
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119801902
3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386108
3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560045

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide?
The IUPAC name of 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide (CID 95972468) is 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide is C[C@@]1(CNC(=O)CCc2cccc(F)c2F)CCCC[C@H]1O.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide?
The InChIKey is YFGDYUIHVLSYDL-PBHICJAKSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-17(10-3-2-7-14(17)21)11-20-15(22)9-8-12-5-4-6-13(18)16(12)19/h4-6,14,21H,2-3,7-11H2,1H3,(H,20,22)/t14-,17+/m1/s1.
What are the key properties of 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide?
3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide has a molecular weight of 311.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide is sourced from PubChem (CID 95972468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).