N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide

C14H10FNO3 — CID 669568

IUPACN-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10FNO3/c15-10-3-1-2-4-11(10)16-14(17)9-5-6-12-13(7-9)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyLVPDLFYFFHXCQY-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.81
Rot. Bonds2

About N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide

N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 669568) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID669568
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC NameN-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10FNO3/c15-10-3-1-2-4-11(10)16-14(17)9-5-6-12-13(7-9)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyLVPDLFYFFHXCQY-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

Analyze N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide (CID 669568) is N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccccc1F)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is LVPDLFYFFHXCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-10-3-1-2-4-11(10)16-14(17)9-5-6-12-13(7-9)19-8-18-12/h1-7H,8H2,(H,16,17).
What are the key properties of N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide?
N-(2-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-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 669568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).