5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide

C13H12FNO3 — CID 78797464

IUPAC5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide
SMILESCON(C)C(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C13H12FNO3/c1-15(17-2)13(16)12-8-7-11(18-12)9-5-3-4-6-10(9)14/h3-8H,1-2H3
InChIKeyYXCBGEFBVNJIJB-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.72
Rot. Bonds3

About 5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide

5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide (PubChem CID 78797464) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide
PubChem CID78797464
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide
SMILESCON(C)C(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C13H12FNO3/c1-15(17-2)13(16)12-8-7-11(18-12)9-5-3-4-6-10(9)14/h3-8H,1-2H3
InChIKeyYXCBGEFBVNJIJB-UHFFFAOYSA-N
XLogP2.72
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388419
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8666053
5-(2-fluorophenyl)-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823505
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-ethyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 134014500
5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide
CID 50849668
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide
CID 46562764
2-methylsulfanylethyl 5-(2-fluorophenyl)furan-2-carboxylate
CID 78832390
N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8665977

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide (CID 78797464) is 5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide is CON(C)C(=O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of 5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide?
The InChIKey is YXCBGEFBVNJIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-15(17-2)13(16)12-8-7-11(18-12)9-5-3-4-6-10(9)14/h3-8H,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide?
5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide is sourced from PubChem (CID 78797464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).