N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide

C20H15F2N3O3 — CID 91611985

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccccn1
InChIInChI=1S/C20H15F2N3O3/c21-20(22)27-17-9-8-13(11-18(17)28-20)25-19(26)15-6-1-2-7-16(15)24-12-14-5-3-4-10-23-14/h1-11,24H,12H2,(H,25,26)
InChIKeyISARCZLDASIMDZ-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.27
Rot. Bonds5

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide (PubChem CID 91611985) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide
PubChem CID91611985
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccccn1
InChIInChI=1S/C20H15F2N3O3/c21-20(22)27-17-9-8-13(11-18(17)28-20)25-19(26)15-6-1-2-7-16(15)24-12-14-5-3-4-10-23-14/h1-11,24H,12H2,(H,25,26)
InChIKeyISARCZLDASIMDZ-UHFFFAOYSA-N
XLogP4.27
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.27
H-Bond Donors ≤ 52
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)-2-(pyridin-2-ylmethylamino)benzamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide (CID 91611985) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide is O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccccn1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide?
The InChIKey is ISARCZLDASIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c21-20(22)27-17-9-8-13(11-18(17)28-20)25-19(26)15-6-1-2-7-16(15)24-12-14-5-3-4-10-23-14/h1-11,24H,12H2,(H,25,26).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-2-ylmethylamino)benzamide has a molecular weight of 383.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 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)-2-(pyridin-2-ylmethylamino)benzamide is sourced from PubChem (CID 91611985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).