N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide

C14H9F2NO3 — CID 673500

IUPACN-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H9F2NO3/c15-10-3-2-9(6-11(10)16)17-14(18)8-1-4-12-13(5-8)20-7-19-12/h1-6H,7H2,(H,17,18)
InChIKeyFUAQGUDITXGNRU-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.95
Rot. Bonds2

About N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide

N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 673500) has the molecular formula C14H9F2NO3 and a molecular weight of 277.23 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID673500
Molecular FormulaC14H9F2NO3
Molecular Weight277.23 g/mol
Exact Mass277.06
IUPAC NameN-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H9F2NO3/c15-10-3-2-9(6-11(10)16)17-14(18)8-1-4-12-13(5-8)20-7-19-12/h1-6H,7H2,(H,17,18)
InChIKeyFUAQGUDITXGNRU-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide (CID 673500) is N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is FUAQGUDITXGNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO3/c15-10-3-2-9(6-11(10)16)17-14(18)8-1-4-12-13(5-8)20-7-19-12/h1-6H,7H2,(H,17,18).
What are the key properties of N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide?
N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 277.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 673500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).