N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide

C17H9F5N2O4 — CID 148652338

IUPACN-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide
SMILESO=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H9F5N2O4/c18-16(19,20)26-10-3-1-2-8(4-10)15(25)24-14-6-9-5-12-13(7-11(9)23-14)28-17(21,22)27-12/h1-5,7H,6H2,(H,23,24,25)
InChIKeyNMDNOLAFPMFJAP-UHFFFAOYSA-N
MW400.26 g/mol
LogP3.92
Rot. Bonds2

About N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide

N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide (PubChem CID 148652338) has the molecular formula C17H9F5N2O4 and a molecular weight of 400.26 g/mol. Its IUPAC name is N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide
PubChem CID148652338
Molecular FormulaC17H9F5N2O4
Molecular Weight400.26 g/mol
Exact Mass400.05
IUPAC NameN-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide
SMILESO=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H9F5N2O4/c18-16(19,20)26-10-3-1-2-8(4-10)15(25)24-14-6-9-5-12-13(7-11(9)23-14)28-17(21,22)27-12/h1-5,7H,6H2,(H,23,24,25)
InChIKeyNMDNOLAFPMFJAP-UHFFFAOYSA-N
XLogP3.92
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide
CID 162594452
6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide
CID 159446409
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
CID 10338943
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
3-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38205833
N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide
CID 25225801
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122303779
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide
CID 122276365
(2S)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120525960
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide (CID 148652338) is N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide is O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide?
The InChIKey is NMDNOLAFPMFJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F5N2O4/c18-16(19,20)26-10-3-1-2-8(4-10)15(25)24-14-6-9-5-12-13(7-11(9)23-14)28-17(21,22)27-12/h1-5,7H,6H2,(H,23,24,25).
What are the key properties of N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide?
N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide has a molecular weight of 400.26 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 148652338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).