3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide

C15H21F2NO2 — CID 111463317

IUPAC3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCc1cccc(F)c1F
InChIInChI=1S/C15H21F2NO2/c1-3-15(20,4-2)10-18-13(19)9-8-11-6-5-7-12(16)14(11)17/h5-7,20H,3-4,8-10H2,1-2H3,(H,18,19)
InChIKeyRZZMMSNYVGWEMA-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.56
Rot. Bonds7

About 3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide

3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide (PubChem CID 111463317) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
PubChem CID111463317
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCc1cccc(F)c1F
InChIInChI=1S/C15H21F2NO2/c1-3-15(20,4-2)10-18-13(19)9-8-11-6-5-7-12(16)14(11)17/h5-7,20H,3-4,8-10H2,1-2H3,(H,18,19)
InChIKeyRZZMMSNYVGWEMA-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
CID 111446592
3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide
CID 111478810
(2S)-3-[3-(2,3-difluorophenyl)propanoylamino]-2-methylpropanoic acid
CID 97324559
3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide
CID 86264329
N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
CID 119996136
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181
N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 65112402
N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 111483443
3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446162
3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610225
N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
CID 65112662
2-bromo-N-(2-ethyl-2-hydroxybutyl)-6-fluorobenzamide
CID 111780819

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The IUPAC name of 3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide (CID 111463317) is 3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide is CCC(O)(CC)CNC(=O)CCc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The InChIKey is RZZMMSNYVGWEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-3-15(20,4-2)10-18-13(19)9-8-11-6-5-7-12(16)14(11)17/h5-7,20H,3-4,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide?
3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide has a molecular weight of 285.33 g/mol, XLogP of 2.56, 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-ethyl-2-hydroxybutyl)propanamide is sourced from PubChem (CID 111463317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).