2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide

C12H14FNO3 — CID 104929999

IUPAC2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2ccc(O)cc2F)CCOC1
InChIInChI=1S/C12H14FNO3/c1-12(4-5-17-7-12)14-11(16)9-3-2-8(15)6-10(9)13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyLYLACHFLWWXZMV-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.44
Rot. Bonds2

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

2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide (PubChem CID 104929999) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
PubChem CID104929999
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2ccc(O)cc2F)CCOC1
InChIInChI=1S/C12H14FNO3/c1-12(4-5-17-7-12)14-11(16)9-3-2-8(15)6-10(9)13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyLYLACHFLWWXZMV-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769264
4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
CID 113341747
2,5-difluoro-N-(3-methyloxolan-3-yl)-4-nitrobenzamide
CID 115769248
5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 113347966
3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 115769327
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
3-amino-2,5-difluoro-N-(3-methyloxolan-3-yl)benzamide
CID 107121435
3-fluoro-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 103897058
2-bromo-4-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 103899264

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide (CID 104929999) is 2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide is CC1(NC(=O)c2ccc(O)cc2F)CCOC1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide?
The InChIKey is LYLACHFLWWXZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-12(4-5-17-7-12)14-11(16)9-3-2-8(15)6-10(9)13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16).
What are the key properties of 2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide?
2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide has a molecular weight of 239.25 g/mol, XLogP of 1.44, 2 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-(3-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 104929999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).