3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide

C10H12FNO4 — CID 72707673

IUPAC3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide
SMILESCOc1ccc(F)cc1C(O)CC(=O)NO
InChIInChI=1S/C10H12FNO4/c1-16-9-3-2-6(11)4-7(9)8(13)5-10(14)12-15/h2-4,8,13,15H,5H2,1H3,(H,12,14)
InChIKeyHJZGIXVWMCCKMU-UHFFFAOYSA-N
MW229.21 g/mol
LogP0.76
Rot. Bonds4

About 3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide

3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide (PubChem CID 72707673) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide
PubChem CID72707673
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide
SMILESCOc1ccc(F)cc1C(O)CC(=O)NO
InChIInChI=1S/C10H12FNO4/c1-16-9-3-2-6(11)4-7(9)8(13)5-10(14)12-15/h2-4,8,13,15H,5H2,1H3,(H,12,14)
InChIKeyHJZGIXVWMCCKMU-UHFFFAOYSA-N
XLogP0.76
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-3-(3-methoxyphenyl)propanamide
CID 660756
N,3-dihydroxy-3-(4-methoxyphenyl)propanamide
CID 72707665
N,3-dihydroxy-3-(2-methoxyphenyl)propanamide
CID 72707598
N,3-dihydroxy-3-(3-methoxyphenyl)propanamide
CID 72707602
N,3-dihydroxy-3-(2-methoxyphenyl)-N-methylpropanamide
CID 155550012
(4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one
CID 102338974
2-[(S)-hydroxy-(2-methoxyphenyl)methyl]prop-2-enamide
CID 101229681
N-methoxy-3-(2-methoxyphenyl)propanamide
CID 60717759
3-Hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 70794801
2-(5-Fluoro-2-methoxyphenyl)-2-hydroxyacetamide
CID 83531638
2-[7-fluoro-4-hydroxy-3-(4-hydroxyphenyl)chromen-4-yl]-N-hydroxyacetamide
CID 150223692
2-[6-fluoro-4-hydroxy-3-(4-hydroxyphenyl)chromen-4-yl]-N-hydroxyacetamide
CID 150274084

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide (CID 72707673) is 3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide is COc1ccc(F)cc1C(O)CC(=O)NO.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide?
The InChIKey is HJZGIXVWMCCKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-16-9-3-2-6(11)4-7(9)8(13)5-10(14)12-15/h2-4,8,13,15H,5H2,1H3,(H,12,14).
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide?
3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide has a molecular weight of 229.21 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide is sourced from PubChem (CID 72707673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).