2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide

C12H14FNO3 — CID 113355583

IUPAC2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(O)cc1F
InChIInChI=1S/C12H14FNO3/c13-11-6-8(15)3-4-10(11)12(16)14-7-9-2-1-5-17-9/h3-4,6,9,15H,1-2,5,7H2,(H,14,16)
InChIKeyREIXHZFIUKLCDH-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.44
Rot. Bonds3

About 2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide

2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 113355583) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID113355583
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(O)cc1F
InChIInChI=1S/C12H14FNO3/c13-11-6-8(15)3-4-10(11)12(16)14-7-9-2-1-5-17-9/h3-4,6,9,15H,1-2,5,7H2,(H,14,16)
InChIKeyREIXHZFIUKLCDH-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
7-hydroxy-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 5413280
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-fluoro-4-hydroxybenzamide
CID 104929726
5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95155012
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777806
N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677675

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide (CID 113355583) is 2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is REIXHZFIUKLCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-11-6-8(15)3-4-10(11)12(16)14-7-9-2-1-5-17-9/h3-4,6,9,15H,1-2,5,7H2,(H,14,16).
What are the key properties of 2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide?
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 239.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 113355583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).