N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide

C20H12F2N2O4 — CID 86764450

IUPACN-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
SMILESO=C(NCc1ccc2c(c1)OC(F)(F)O2)c1ccc2c(c1)oc1cnccc12
InChIInChI=1S/C20H12F2N2O4/c21-20(22)27-15-4-1-11(7-17(15)28-20)9-24-19(25)12-2-3-13-14-5-6-23-10-18(14)26-16(13)8-12/h1-8,10H,9H2,(H,24,25)
InChIKeyDLPZMGRIJBHVOO-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.23
Rot. Bonds3

About N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide

N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide (PubChem CID 86764450) has the molecular formula C20H12F2N2O4 and a molecular weight of 382.32 g/mol. Its IUPAC name is N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
PubChem CID86764450
Molecular FormulaC20H12F2N2O4
Molecular Weight382.32 g/mol
Exact Mass382.08
IUPAC NameN-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
SMILESO=C(NCc1ccc2c(c1)OC(F)(F)O2)c1ccc2c(c1)oc1cnccc12
InChIInChI=1S/C20H12F2N2O4/c21-20(22)27-15-4-1-11(7-17(15)28-20)9-24-19(25)12-2-3-13-14-5-6-23-10-18(14)26-16(13)8-12/h1-8,10H,9H2,(H,24,25)
InChIKeyDLPZMGRIJBHVOO-UHFFFAOYSA-N
XLogP4.23
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide (CID 86764450) is N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide is O=C(NCc1ccc2c(c1)OC(F)(F)O2)c1ccc2c(c1)oc1cnccc12.
What is the InChIKey of N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The InChIKey is DLPZMGRIJBHVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O4/c21-20(22)27-15-4-1-11(7-17(15)28-20)9-24-19(25)12-2-3-13-14-5-6-23-10-18(14)26-16(13)8-12/h1-8,10H,9H2,(H,24,25).
What are the key properties of N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide has a molecular weight of 382.32 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 86764450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).