3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide

C11H11F2NO4 — CID 171868759

IUPAC3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide
SMILESCC(=O)c1cc(C(O)C(O)C(N)=O)c(F)cc1F
InChIInChI=1S/C11H11F2NO4/c1-4(15)5-2-6(8(13)3-7(5)12)9(16)10(17)11(14)18/h2-3,9-10,16-17H,1H3,(H2,14,18)
InChIKeyDODXNGTZRWUSSN-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.05
Rot. Bonds4

About 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide

3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide (PubChem CID 171868759) has the molecular formula C11H11F2NO4 and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide
PubChem CID171868759
Molecular FormulaC11H11F2NO4
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide
SMILESCC(=O)c1cc(C(O)C(O)C(N)=O)c(F)cc1F
InChIInChI=1S/C11H11F2NO4/c1-4(15)5-2-6(8(13)3-7(5)12)9(16)10(17)11(14)18/h2-3,9-10,16-17H,1H3,(H2,14,18)
InChIKeyDODXNGTZRWUSSN-UHFFFAOYSA-N
XLogP0.05
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(5-acetyl-2,4-difluorophenyl)-3,4-dihydroxybutanoate
CID 171896186
1-[5-[1,2-dihydroxy-4-(methylamino)butyl]-2,4-difluorophenyl]ethanone
CID 171890813
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867868
3-(4-amino-2-fluoro-5-methylphenyl)-2,3-dihydroxypropanoic acid
CID 170823988
methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865301
3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide
CID 171867891
1-(4-ethenyl-2,5-difluorophenyl)ethanone
CID 142110375
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171868483
3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide
CID 171868515

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide (CID 171868759) is 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide is CC(=O)c1cc(C(O)C(O)C(N)=O)c(F)cc1F.
What is the InChIKey of 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide?
The InChIKey is DODXNGTZRWUSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO4/c1-4(15)5-2-6(8(13)3-7(5)12)9(16)10(17)11(14)18/h2-3,9-10,16-17H,1H3,(H2,14,18).
What are the key properties of 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide?
3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide has a molecular weight of 259.21 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).