N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide

C18H12FNO4 — CID 27648507

IUPACN-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H12FNO4/c19-12-3-1-11(2-4-12)14-7-8-16(24-14)18(21)20-13-5-6-15-17(9-13)23-10-22-15/h1-9H,10H2,(H,20,21)
InChIKeyVVTVJUFKWYLTRQ-UHFFFAOYSA-N
MW325.30 g/mol
LogP4.07
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 27648507) has the molecular formula C18H12FNO4 and a molecular weight of 325.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID27648507
Molecular FormulaC18H12FNO4
Molecular Weight325.30 g/mol
Exact Mass325.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H12FNO4/c19-12-3-1-11(2-4-12)14-7-8-16(24-14)18(21)20-13-5-6-15-17(9-13)23-10-22-15/h1-9H,10H2,(H,20,21)
InChIKeyVVTVJUFKWYLTRQ-UHFFFAOYSA-N
XLogP4.07
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392752
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 8869966
N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497687
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 91689974
N-(1,3-benzodioxol-5-yl)-6-fluoro-1-oxoisochromene-3-carboxamide
CID 172905470
N-[3-chloro-4-(methylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 94632130
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189807
N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27163463
1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 99598969
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268567

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide (CID 27648507) is N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is VVTVJUFKWYLTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO4/c19-12-3-1-11(2-4-12)14-7-8-16(24-14)18(21)20-13-5-6-15-17(9-13)23-10-22-15/h1-9H,10H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 325.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 27648507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).