N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide

C10H12FNO4 — CID 107677052

IUPACN-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCC(O)CO)c1ccc(O)cc1F
InChIInChI=1S/C10H12FNO4/c11-9-3-6(14)1-2-8(9)10(16)12-4-7(15)5-13/h1-3,7,13-15H,4-5H2,(H,12,16)
InChIKeyMAZKKBQMRULTDI-UHFFFAOYSA-N
MW229.21 g/mol
LogP-0.39
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide

N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide (PubChem CID 107677052) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
PubChem CID107677052
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC NameN-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCC(O)CO)c1ccc(O)cc1F
InChIInChI=1S/C10H12FNO4/c11-9-3-6(14)1-2-8(9)10(16)12-4-7(15)5-13/h1-3,7,13-15H,4-5H2,(H,12,16)
InChIKeyMAZKKBQMRULTDI-UHFFFAOYSA-N
XLogP-0.39
TPSA89.79 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 ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide 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

2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 104929813
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370
N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677727
N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
CID 107677629
2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
CID 66175984
5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175364
N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
CID 114344939
2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
CID 107677312
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide (CID 107677052) is N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide is O=C(NCC(O)CO)c1ccc(O)cc1F.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is MAZKKBQMRULTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c11-9-3-6(14)1-2-8(9)10(16)12-4-7(15)5-13/h1-3,7,13-15H,4-5H2,(H,12,16).
What are the key properties of N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide?
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide has a molecular weight of 229.21 g/mol, XLogP of -0.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).