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

C16H11F2N3O4 — CID 72721720

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1
InChIInChI=1S/C16H11F2N3O4/c1-23-9-4-2-8(3-5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyIUGOVLRITPUNEM-UHFFFAOYSA-N
MW347.28 g/mol
LogP3.15
Rot. Bonds3

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

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide (PubChem CID 72721720) has the molecular formula C16H11F2N3O4 and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide
PubChem CID72721720
Molecular FormulaC16H11F2N3O4
Molecular Weight347.28 g/mol
Exact Mass347.07
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1
InChIInChI=1S/C16H11F2N3O4/c1-23-9-4-2-8(3-5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyIUGOVLRITPUNEM-UHFFFAOYSA-N
XLogP3.15
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide
CID 72721823
4-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-methylbenzamide
CID 162594450
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide
CID 72720483
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 118117740
4-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethyl)benzamide
CID 118137003
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide
CID 146981611
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide
CID 72720604
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
CID 118117054
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide
CID 123192464
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide
CID 123432765
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide
CID 146929473
N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide
CID 162594452

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide (CID 72721720) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide?
The InChIKey is IUGOVLRITPUNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O4/c1-23-9-4-2-8(3-5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(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)-4-methoxybenzamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide has a molecular weight of 347.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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)-4-methoxybenzamide is sourced from PubChem (CID 72721720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).