N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide

C14H10FNO3 — CID 876790

IUPACN-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10FNO3/c15-10-2-1-3-11(7-10)16-14(17)9-4-5-12-13(6-9)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyGMERFNQWMZJABL-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.81
Rot. Bonds2

About N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide

N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 876790) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID876790
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC NameN-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10FNO3/c15-10-2-1-3-11(7-10)16-14(17)9-4-5-12-13(6-9)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyGMERFNQWMZJABL-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide (CID 876790) is N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(F)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is GMERFNQWMZJABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-10-2-1-3-11(7-10)16-14(17)9-4-5-12-13(6-9)19-8-18-12/h1-7H,8H2,(H,16,17).
What are the key properties of N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide?
N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 259.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 876790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).