N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide

C15H8F3N3O3 — CID 72720483

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(F)c1
InChIInChI=1S/C15H8F3N3O3/c16-8-3-1-2-7(4-8)13(22)21-14-19-9-5-11-12(6-10(9)20-14)24-15(17,18)23-11/h1-6H,(H2,19,20,21,22)
InChIKeyLYUFKLMIMKOHAK-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.28
Rot. Bonds2

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide (PubChem CID 72720483) has the molecular formula C15H8F3N3O3 and a molecular weight of 335.24 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide
PubChem CID72720483
Molecular FormulaC15H8F3N3O3
Molecular Weight335.24 g/mol
Exact Mass335.05
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(F)c1
InChIInChI=1S/C15H8F3N3O3/c16-8-3-1-2-7(4-8)13(22)21-14-19-9-5-11-12(6-10(9)20-14)24-15(17,18)23-11/h1-6H,(H2,19,20,21,22)
InChIKeyLYUFKLMIMKOHAK-UHFFFAOYSA-N
XLogP3.28
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide (CID 72720483) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide is O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(F)c1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide?
The InChIKey is LYUFKLMIMKOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O3/c16-8-3-1-2-7(4-8)13(22)21-14-19-9-5-11-12(6-10(9)20-14)24-15(17,18)23-11/h1-6H,(H2,19,20,21,22).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide has a molecular weight of 335.24 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide is sourced from PubChem (CID 72720483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).