3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

C15H21F2NO2 — CID 103782223

IUPAC3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-10(2)14(7-8-19)18-15(20)6-4-11-3-5-12(16)13(17)9-11/h3,5,9-10,14,19H,4,6-8H2,1-2H3,(H,18,20)
InChIKeyNBYPRHIIMRRDRV-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.42
Rot. Bonds7

About 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (PubChem CID 103782223) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
PubChem CID103782223
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-10(2)14(7-8-19)18-15(20)6-4-11-3-5-12(16)13(17)9-11/h3,5,9-10,14,19H,4,6-8H2,1-2H3,(H,18,20)
InChIKeyNBYPRHIIMRRDRV-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-(3,4-difluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79010917
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247057
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide
CID 86894208
(2R)-2-[4-(3,4-difluorophenyl)butanoylamino]propanoic acid
CID 91645243
(2S)-2-[3-(3,4-difluorophenyl)propanoylamino]hexanoic acid
CID 107144250
N-(1-bromo-3-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 114316159
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 86894232
2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106353084
3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500923
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (CID 103782223) is 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is CC(C)C(CCO)NC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The InChIKey is NBYPRHIIMRRDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-10(2)14(7-8-19)18-15(20)6-4-11-3-5-12(16)13(17)9-11/h3,5,9-10,14,19H,4,6-8H2,1-2H3,(H,18,20).
What are the key properties of 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide has a molecular weight of 285.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is sourced from PubChem (CID 103782223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).