3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide

C14H19F2NO2 — CID 65114649

IUPAC3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
SMILESCCC(C)(O)CNC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-3-14(2,19)9-17-13(18)7-5-10-4-6-11(15)12(16)8-10/h4,6,8,19H,3,5,7,9H2,1-2H3,(H,17,18)
InChIKeyQBVXCFKWVYPXBQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.17
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide

3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide (PubChem CID 65114649) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
PubChem CID65114649
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
SMILESCCC(C)(O)CNC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-3-14(2,19)9-17-13(18)7-5-10-4-6-11(15)12(16)8-10/h4,6,8,19H,3,5,7,9H2,1-2H3,(H,17,18)
InChIKeyQBVXCFKWVYPXBQ-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169617
3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86929314
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452290
3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500923
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
4-[3-(4-ethylphenyl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002697
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447050
3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249807
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65114973

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide (CID 65114649) is 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide is CCC(C)(O)CNC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide?
The InChIKey is QBVXCFKWVYPXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-14(2,19)9-17-13(18)7-5-10-4-6-11(15)12(16)8-10/h4,6,8,19H,3,5,7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide?
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide has a molecular weight of 271.31 g/mol, XLogP of 2.17, 6 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-(2-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 65114649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).