4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide

C10H11ClFNO4 — CID 171899130

IUPAC4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C10H11ClFNO4/c11-4-1-5(9(16)6(12)2-4)10(17)7(14)3-8(13)15/h1-2,7,10,14,16-17H,3H2,(H2,13,15)
InChIKeyFGNAYJOKABIWJG-UHFFFAOYSA-N
MW263.65 g/mol
LogP0.45
Rot. Bonds4

About 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide

4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide (PubChem CID 171899130) has the molecular formula C10H11ClFNO4 and a molecular weight of 263.65 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
PubChem CID171899130
Molecular FormulaC10H11ClFNO4
Molecular Weight263.65 g/mol
Exact Mass263.04
IUPAC Name4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C10H11ClFNO4/c11-4-1-5(9(16)6(12)2-4)10(17)7(14)3-8(13)15/h1-2,7,10,14,16-17H,3H2,(H2,13,15)
InChIKeyFGNAYJOKABIWJG-UHFFFAOYSA-N
XLogP0.45
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide (CID 171899130) is 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1cc(Cl)cc(F)c1O.
What is the InChIKey of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The InChIKey is FGNAYJOKABIWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4/c11-4-1-5(9(16)6(12)2-4)10(17)7(14)3-8(13)15/h1-2,7,10,14,16-17H,3H2,(H2,13,15).
What are the key properties of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide has a molecular weight of 263.65 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).