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

C15H13F2N3O4 — CID 123192464

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide
SMILESCC1OC=CC1(C)C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3
InChIInChI=1S/C15H13F2N3O4/c1-7-14(2,3-4-22-7)12(21)20-13-18-8-5-10-11(6-9(8)19-13)24-15(16,17)23-10/h3-7H,1-2H3,(H2,18,19,20,21)
InChIKeyUQJZHIFWUOKNLN-UHFFFAOYSA-N
MW337.28 g/mol
LogP2.76
Rot. Bonds2

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

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide (PubChem CID 123192464) has the molecular formula C15H13F2N3O4 and a molecular weight of 337.28 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide
PubChem CID123192464
Molecular FormulaC15H13F2N3O4
Molecular Weight337.28 g/mol
Exact Mass337.09
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide
SMILESCC1OC=CC1(C)C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3
InChIInChI=1S/C15H13F2N3O4/c1-7-14(2,3-4-22-7)12(21)20-13-18-8-5-10-11(6-9(8)19-13)24-15(16,17)23-10/h3-7H,1-2H3,(H2,18,19,20,21)
InChIKeyUQJZHIFWUOKNLN-UHFFFAOYSA-N
XLogP2.76
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 52.76
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)-2,3-dimethyl-2H-furan-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide (CID 123192464) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide is CC1OC=CC1(C)C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide?
The InChIKey is UQJZHIFWUOKNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O4/c1-7-14(2,3-4-22-7)12(21)20-13-18-8-5-10-11(6-9(8)19-13)24-15(16,17)23-10/h3-7H,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide has a molecular weight of 337.28 g/mol, XLogP of 2.76, 2 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)-2,3-dimethyl-2H-furan-3-carboxamide is sourced from PubChem (CID 123192464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).