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

C20H18F2N2O3 — CID 152871521

IUPAC4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1
InChIInChI=1S/C20H18F2N2O3/c1-19(2,3)13-6-4-11(5-7-13)18(25)24-17-9-12-8-15-16(10-14(12)23-17)27-20(21,22)26-15/h4-8,10H,9H2,1-3H3,(H,23,24,25)
InChIKeyTZMQCTNUZVEIBG-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.32
Rot. Bonds1

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

4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide (PubChem CID 152871521) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide
PubChem CID152871521
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1
InChIInChI=1S/C20H18F2N2O3/c1-19(2,3)13-6-4-11(5-7-13)18(25)24-17-9-12-8-15-16(10-14(12)23-17)27-20(21,22)26-15/h4-8,10H,9H2,1-3H3,(H,23,24,25)
InChIKeyTZMQCTNUZVEIBG-UHFFFAOYSA-N
XLogP4.32
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
CID 847771
6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 135511101
4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
CID 847774
2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
CID 847846
6-(4-Fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
CID 135585421
4-tert-butyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzamide
CID 70990204
6-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
CID 140174477
4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide
CID 147705446
4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide
CID 148167895
N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide
CID 148490309
N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide
CID 148652338
N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide
CID 148799258

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide (CID 152871521) is 4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide is CC(C)(C)c1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1.
What is the InChIKey of 4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide?
The InChIKey is TZMQCTNUZVEIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-19(2,3)13-6-4-11(5-7-13)18(25)24-17-9-12-8-15-16(10-14(12)23-17)27-20(21,22)26-15/h4-8,10H,9H2,1-3H3,(H,23,24,25).
What are the key properties of 4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide?
4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide has a molecular weight of 372.37 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide is sourced from PubChem (CID 152871521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).