3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

C15H21F2NO2 — CID 61247057

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

About 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (PubChem CID 61247057) 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-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
PubChem CID61247057
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-10(2)7-12(9-19)18-15(20)6-4-11-3-5-13(16)14(17)8-11/h3,5,8,10,12,19H,4,6-7,9H2,1-2H3,(H,18,20)
InChIKeyTXQLYHGXBVGLEI-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

3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782223
(2R)-2-[3-(3,4-difluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79010917
(2R)-2-[4-(3,4-difluorophenyl)butanoylamino]propanoic acid
CID 91645243
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide
CID 86894208
3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447050
3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 107272981
1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424633
(2S)-2-[3-(3,4-difluorophenyl)propanoylamino]hexanoic acid
CID 107144250
3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500923
3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246362
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (CID 61247057) is 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is CC(C)CC(CO)NC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The InChIKey is TXQLYHGXBVGLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-10(2)7-12(9-19)18-15(20)6-4-11-3-5-13(16)14(17)8-11/h3,5,8,10,12,19H,4,6-7,9H2,1-2H3,(H,18,20).
What are the key properties of 3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-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-2-yl)propanamide is sourced from PubChem (CID 61247057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).