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

C17H14F2N4O3 — CID 72720816

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1
InChIInChI=1S/C17H14F2N4O3/c1-23(2)10-5-3-4-9(6-10)15(24)22-16-20-11-7-13-14(8-12(11)21-16)26-17(18,19)25-13/h3-8H,1-2H3,(H2,20,21,22,24)
InChIKeySMLSSWCSSCTQSJ-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.20
Rot. Bonds3

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

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide (PubChem CID 72720816) has the molecular formula C17H14F2N4O3 and a molecular weight of 360.32 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide
PubChem CID72720816
Molecular FormulaC17H14F2N4O3
Molecular Weight360.32 g/mol
Exact Mass360.10
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1
InChIInChI=1S/C17H14F2N4O3/c1-23(2)10-5-3-4-9(6-10)15(24)22-16-20-11-7-13-14(8-12(11)21-16)26-17(18,19)25-13/h3-8H,1-2H3,(H2,20,21,22,24)
InChIKeySMLSSWCSSCTQSJ-UHFFFAOYSA-N
XLogP3.20
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.20
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-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide (CID 72720816) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide?
The InChIKey is SMLSSWCSSCTQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3/c1-23(2)10-5-3-4-9(6-10)15(24)22-16-20-11-7-13-14(8-12(11)21-16)26-17(18,19)25-13/h3-8H,1-2H3,(H2,20,21,22,24).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide has a molecular weight of 360.32 g/mol, XLogP of 3.20, 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)-3-(dimethylamino)benzamide is sourced from PubChem (CID 72720816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).