3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide

C16H23F2NO2 — CID 111446592

IUPAC3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
SMILESCCC(C)C(C)(O)CNC(=O)CCc1cccc(F)c1F
InChIInChI=1S/C16H23F2NO2/c1-4-11(2)16(3,21)10-19-14(20)9-8-12-6-5-7-13(17)15(12)18/h5-7,11,21H,4,8-10H2,1-3H3,(H,19,20)
InChIKeyIRDLHDZNYSGKCV-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.81
Rot. Bonds7

About 3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide

3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide (PubChem CID 111446592) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
PubChem CID111446592
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
SMILESCCC(C)C(C)(O)CNC(=O)CCc1cccc(F)c1F
InChIInChI=1S/C16H23F2NO2/c1-4-11(2)16(3,21)10-19-14(20)9-8-12-6-5-7-13(17)15(12)18/h5-7,11,21H,4,8-10H2,1-3H3,(H,19,20)
InChIKeyIRDLHDZNYSGKCV-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)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-(2-ethyl-2-hydroxybutyl)propanamide
CID 111463317
1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 65146702
(2S)-3-[3-(2,3-difluorophenyl)propanoylamino]-2-methylpropanoic acid
CID 97324559
3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide
CID 111478810
N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
CID 119996136
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120487
N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
CID 111446516
3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide
CID 86264329
N-(2-hydroxy-2,3-dimethylpentyl)-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 111478041
3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
CID 111478082
3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610225

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide?
The IUPAC name of 3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide (CID 111446592) is 3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide is CCC(C)C(C)(O)CNC(=O)CCc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide?
The InChIKey is IRDLHDZNYSGKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-4-11(2)16(3,21)10-19-14(20)9-8-12-6-5-7-13(17)15(12)18/h5-7,11,21H,4,8-10H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide?
3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide has a molecular weight of 299.36 g/mol, XLogP of 2.81, 7 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-(2-hydroxy-2,3-dimethylpentyl)propanamide is sourced from PubChem (CID 111446592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).