N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide

C20H16F5N3O — CID 146513798

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1CCc2cc(F)c(F)cc21
InChIInChI=1S/C20H16F5N3O/c1-19(2,28-6-5-11-7-15(21)16(22)9-17(11)28)18(29)27-13-4-3-12(10-26)14(8-13)20(23,24)25/h3-4,7-9H,5-6H2,1-2H3,(H,27,29)
InChIKeyQAYXVAKWRARSLQ-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.64
Rot. Bonds3

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide (PubChem CID 146513798) has the molecular formula C20H16F5N3O and a molecular weight of 409.36 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide
PubChem CID146513798
Molecular FormulaC20H16F5N3O
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1CCc2cc(F)c(F)cc21
InChIInChI=1S/C20H16F5N3O/c1-19(2,28-6-5-11-7-15(21)16(22)9-17(11)28)18(29)27-13-4-3-12(10-26)14(8-13)20(23,24)25/h3-4,7-9H,5-6H2,1-2H3,(H,27,29)
InChIKeyQAYXVAKWRARSLQ-UHFFFAOYSA-N
XLogP4.64
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Gsk232420A
CID 11472813
3-(3,4-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile
CID 3153364
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640118
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640121
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640122
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoro-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640126
2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 16301731
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9363010
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide
CID 146513800
N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2-methylpropanamide
CID 146708524
N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2,2-dimethylpropanamide
CID 147504121
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 9208065

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide (CID 146513798) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1CCc2cc(F)c(F)cc21.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide?
The InChIKey is QAYXVAKWRARSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N3O/c1-19(2,28-6-5-11-7-15(21)16(22)9-17(11)28)18(29)27-13-4-3-12(10-26)14(8-13)20(23,24)25/h3-4,7-9H,5-6H2,1-2H3,(H,27,29).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide has a molecular weight of 409.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 146513798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).