2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide

C12H14FNO3 — CID 104929947

IUPAC2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1ccc(O)cc1F)C1CCOC1
InChIInChI=1S/C12H14FNO3/c1-14(8-4-5-17-7-8)12(16)10-3-2-9(15)6-11(10)13/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyVTRZGJCUHXGUDS-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.39
Rot. Bonds2

About 2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide

2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide (PubChem CID 104929947) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
PubChem CID104929947
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1ccc(O)cc1F)C1CCOC1
InChIInChI=1S/C12H14FNO3/c1-14(8-4-5-17-7-8)12(16)10-3-2-9(15)6-11(10)13/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyVTRZGJCUHXGUDS-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940160
N-cyclobutyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940219
2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
CID 82749561
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737720
4,5-difluoro-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 78997229
2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide
CID 113258754
3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
CID 107721166
2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 43611231
4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide (CID 104929947) is 2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide is CN(C(=O)c1ccc(O)cc1F)C1CCOC1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide?
The InChIKey is VTRZGJCUHXGUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-14(8-4-5-17-7-8)12(16)10-3-2-9(15)6-11(10)13/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of 2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide?
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide has a molecular weight of 239.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 104929947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).