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

C13H17F2NO2 — CID 43427720

IUPAC3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-2-10(8-17)16-13(18)6-4-9-3-5-11(14)12(15)7-9/h3,5,7,10,17H,2,4,6,8H2,1H3,(H,16,18)
InChIKeyVQGFCILDOGFFOY-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.78
Rot. Bonds6

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

3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide (PubChem CID 43427720) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
PubChem CID43427720
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-2-10(8-17)16-13(18)6-4-9-3-5-11(14)12(15)7-9/h3,5,7,10,17H,2,4,6,8H2,1H3,(H,16,18)
InChIKeyVQGFCILDOGFFOY-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247057
3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920079
3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417966
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
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
(2S)-2-[3-(3,4-difluorophenyl)propanoylamino]hexanoic acid
CID 107144250
3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 82152685
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
(2R)-2-[4-(3,4-difluorophenyl)butanoylamino]propanoic acid
CID 91645243

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide (CID 43427720) is 3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide is CCC(CO)NC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide?
The InChIKey is VQGFCILDOGFFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-2-10(8-17)16-13(18)6-4-9-3-5-11(14)12(15)7-9/h3,5,7,10,17H,2,4,6,8H2,1H3,(H,16,18).
What are the key properties of 3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide?
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide has a molecular weight of 257.28 g/mol, XLogP of 1.78, 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-(1-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 43427720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).