3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide

C10H12FNO4 — CID 71721752

IUPAC3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide
SMILESCOc1ccc(C(O)CC(=O)NO)cc1F
InChIInChI=1S/C10H12FNO4/c1-16-9-3-2-6(4-7(9)11)8(13)5-10(14)12-15/h2-4,8,13,15H,5H2,1H3,(H,12,14)
InChIKeyYETGHWMIGCPCNJ-UHFFFAOYSA-N
MW229.21 g/mol
LogP0.76
Rot. Bonds4

About 3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide

3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide (PubChem CID 71721752) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide
PubChem CID71721752
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide
SMILESCOc1ccc(C(O)CC(=O)NO)cc1F
InChIInChI=1S/C10H12FNO4/c1-16-9-3-2-6(4-7(9)11)8(13)5-10(14)12-15/h2-4,8,13,15H,5H2,1H3,(H,12,14)
InChIKeyYETGHWMIGCPCNJ-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

2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
(3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide
CID 139978521
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65151867
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide (CID 71721752) is 3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide is COc1ccc(C(O)CC(=O)NO)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide?
The InChIKey is YETGHWMIGCPCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-16-9-3-2-6(4-7(9)11)8(13)5-10(14)12-15/h2-4,8,13,15H,5H2,1H3,(H,12,14).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide?
3-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide is sourced from PubChem (CID 71721752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).