N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide

C12H14FNO3 — CID 64787080

IUPACN-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)C1CCCOC1
InChIInChI=1S/C12H14FNO3/c13-10-6-9(15)3-4-11(10)14-12(16)8-2-1-5-17-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,14,16)
InChIKeyBKAKGQSVMQZVHK-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.90
Rot. Bonds2

About N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide

N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide (PubChem CID 64787080) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
PubChem CID64787080
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)C1CCCOC1
InChIInChI=1S/C12H14FNO3/c13-10-6-9(15)3-4-11(10)14-12(16)8-2-1-5-17-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,14,16)
InChIKeyBKAKGQSVMQZVHK-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)oxane-3-carboxamide
CID 64780687
N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide
CID 81028663
N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide
CID 103753605
N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
CID 79953095
N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide
CID 106834575
5-methyl-2-(oxane-3-carbonylamino)benzoic acid
CID 62761030
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride
CID 166385310
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428
methyl 2-(oxane-3-carbonylamino)benzoate
CID 55109995
N-(4-carbamothioyl-2-methoxyphenyl)oxane-3-carboxamide
CID 104849448
N-[2-(N'-hydroxycarbamimidoyl)phenyl]oxane-3-carboxamide
CID 76982116

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide (CID 64787080) is N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide is O=C(Nc1ccc(O)cc1F)C1CCCOC1.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide?
The InChIKey is BKAKGQSVMQZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-10-6-9(15)3-4-11(10)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-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide?
N-(2-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-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide is sourced from PubChem (CID 64787080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).