N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide

C12H14FNO3 — CID 64780687

IUPACN-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)C1CCCOC1
InChIInChI=1S/C12H14FNO3/c13-10-6-9(3-4-11(10)15)14-12(16)8-2-1-5-17-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,14,16)
InChIKeyWHJFAYPVFJNBJE-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.90
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide

N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide (PubChem CID 64780687) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
PubChem CID64780687
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)C1CCCOC1
InChIInChI=1S/C12H14FNO3/c13-10-6-9(3-4-11(10)15)14-12(16)8-2-1-5-17-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,14,16)
InChIKeyWHJFAYPVFJNBJE-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)cyclobutanecarboxamide
CID 64781438
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
CID 81004002
N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64787080
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]oxane-3-carboxamide
CID 104780879
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide
CID 63010461
N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
CID 63015081
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxane-3-carboxamide
CID 63012221
N-[4-(2-aminoethyl)phenyl]oxane-3-carboxamide
CID 63011148
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide (CID 64780687) is N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide is O=C(Nc1ccc(O)c(F)c1)C1CCCOC1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide?
The InChIKey is WHJFAYPVFJNBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-10-6-9(3-4-11(10)15)14-12(16)8-2-1-5-17-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,14,16).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide is sourced from PubChem (CID 64780687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).