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

C10H12FNO4 — CID 171898776

IUPAC4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cc(F)ccc1O
InChIInChI=1S/C10H12FNO4/c11-5-1-2-7(13)6(3-5)10(16)8(14)4-9(12)15/h1-3,8,10,13-14,16H,4H2,(H2,12,15)
InChIKeyAPXMWBKJXFOOGX-UHFFFAOYSA-N
MW229.21 g/mol
LogP-0.20
Rot. Bonds4

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

4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide (PubChem CID 171898776) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
PubChem CID171898776
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cc(F)ccc1O
InChIInChI=1S/C10H12FNO4/c11-5-1-2-7(13)6(3-5)10(16)8(14)4-9(12)15/h1-3,8,10,13-14,16H,4H2,(H2,12,15)
InChIKeyAPXMWBKJXFOOGX-UHFFFAOYSA-N
XLogP-0.20
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide
CID 171899303
3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
CID 171898801
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
(3S)-3-amino-3-(5-fluoro-2-hydroxyphenyl)propanoic acid;hydrochloride
CID 162344213
4-(2-bromo-5-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878755
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171898930
ethyl 4-(5-fluoro-2-methylphenyl)-3,4-dihydroxybutanoate
CID 171896910
4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899844
3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 82607416
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
3-(4-amino-1,2-dihydroxy-4-oxobutyl)-2-fluorobenzoic acid
CID 171899442

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide (CID 171898776) is 4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1cc(F)ccc1O.
What is the InChIKey of 4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The InChIKey is APXMWBKJXFOOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c11-5-1-2-7(13)6(3-5)10(16)8(14)4-9(12)15/h1-3,8,10,13-14,16H,4H2,(H2,12,15).
What are the key properties of 4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide has a molecular weight of 229.21 g/mol, XLogP of -0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).