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

C16H9F4N3O4 — CID 118117741

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H9F4N3O4/c17-14(18)25-8-3-1-2-7(4-8)13(24)23-15-21-9-5-11-12(6-10(9)22-15)27-16(19,20)26-11/h1-6,14H,(H2,21,22,23,24)
InChIKeyMESYSWLGSUWXIQ-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.74
Rot. Bonds4

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

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide (PubChem CID 118117741) has the molecular formula C16H9F4N3O4 and a molecular weight of 383.26 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide
PubChem CID118117741
Molecular FormulaC16H9F4N3O4
Molecular Weight383.26 g/mol
Exact Mass383.05
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H9F4N3O4/c17-14(18)25-8-3-1-2-7(4-8)13(24)23-15-21-9-5-11-12(6-10(9)22-15)27-16(19,20)26-11/h1-6,14H,(H2,21,22,23,24)
InChIKeyMESYSWLGSUWXIQ-UHFFFAOYSA-N
XLogP3.74
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzimidazole-urea, 47
CID 17755232
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)benzamide
CID 2583265
N-(1H-benzimidazol-2-yl)-3-methoxybenzamide
CID 853103
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 1090030
N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide
CID 4236237
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide
CID 72720599
methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate
CID 72720814
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide
CID 72720816
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide
CID 72721720
N-(2,2-Difluoro-5H-1,3-dioxolo[4,5-f]benzoimidazole-6-yl)-3-methoxybenzamide
CID 72721921
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide
CID 118117059
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide
CID 118117109

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide (CID 118117741) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide is O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide?
The InChIKey is MESYSWLGSUWXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3O4/c17-14(18)25-8-3-1-2-7(4-8)13(24)23-15-21-9-5-11-12(6-10(9)22-15)27-16(19,20)26-11/h1-6,14H,(H2,21,22,23,24).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide has a molecular weight of 383.26 g/mol, XLogP of 3.74, 4 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)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 118117741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).