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

C13H17F2NO2 — CID 43500923

IUPAC3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-13(2,8-17)16-12(18)6-4-9-3-5-10(14)11(15)7-9/h3,5,7,17H,4,6,8H2,1-2H3,(H,16,18)
InChIKeyYUUZGIIELULUEE-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.78
Rot. Bonds5

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

3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 43500923) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID43500923
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-13(2,8-17)16-12(18)6-4-9-3-5-10(14)11(15)7-9/h3,5,7,17H,4,6,8H2,1-2H3,(H,16,18)
InChIKeyYUUZGIIELULUEE-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110001057
3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169617
N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
CID 110833364
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114649
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
2-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393255
3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86929314
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247057
3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676471
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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 43500923) is 3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CC(C)(CO)NC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is YUUZGIIELULUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-13(2,8-17)16-12(18)6-4-9-3-5-10(14)11(15)7-9/h3,5,7,17H,4,6,8H2,1-2H3,(H,16,18).
What are the key properties of 3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 257.28 g/mol, XLogP of 1.78, 5 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-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 43500923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).