3-(2,4-difluorophenyl)-3-hydroxypropanamide

C9H9F2NO2 — CID 69415011

IUPAC3-(2,4-difluorophenyl)-3-hydroxypropanamide
SMILESNC(=O)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO2/c10-5-1-2-6(7(11)3-5)8(13)4-9(12)14/h1-3,8,13H,4H2,(H2,12,14)
InChIKeySPZTWDJRQODBLX-UHFFFAOYSA-N
MW201.17 g/mol
LogP0.87
Rot. Bonds3

About 3-(2,4-difluorophenyl)-3-hydroxypropanamide

3-(2,4-difluorophenyl)-3-hydroxypropanamide (PubChem CID 69415011) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-3-hydroxypropanamide
PubChem CID69415011
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name3-(2,4-difluorophenyl)-3-hydroxypropanamide
SMILESNC(=O)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO2/c10-5-1-2-6(7(11)3-5)8(13)4-9(12)14/h1-3,8,13H,4H2,(H2,12,14)
InChIKeySPZTWDJRQODBLX-UHFFFAOYSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide
CID 111448247
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
CID 61218464
2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 110898529
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
CID 116830989
(2,4-difluorophenyl)methanediol
CID 91089962
1-(2,4-difluorophenyl)but-3-en-1-ol
CID 18924035
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
3-amino-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrate
CID 170876365
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
(1S,3S)-3-amino-1-(2,4-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237054

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-3-hydroxypropanamide?
The IUPAC name of 3-(2,4-difluorophenyl)-3-hydroxypropanamide (CID 69415011) is 3-(2,4-difluorophenyl)-3-hydroxypropanamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-3-hydroxypropanamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-3-hydroxypropanamide is NC(=O)CC(O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-3-hydroxypropanamide?
The InChIKey is SPZTWDJRQODBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-5-1-2-6(7(11)3-5)8(13)4-9(12)14/h1-3,8,13H,4H2,(H2,12,14).
What are the key properties of 3-(2,4-difluorophenyl)-3-hydroxypropanamide?
3-(2,4-difluorophenyl)-3-hydroxypropanamide has a molecular weight of 201.17 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 69415011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).