4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile

C20H16F3N3O2 — CID 172625809

IUPAC4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile
SMILESN#Cc1ccc(C(N)C(=O)N2CC3(CC3)c3ccc(OC(F)(F)F)cc32)cc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)28-14-5-6-15-16(9-14)26(11-19(15)7-8-19)18(27)17(25)13-3-1-12(10-24)2-4-13/h1-6,9,17H,7-8,11,25H2
InChIKeyNQVKXADJXHLURW-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.54
Rot. Bonds3

About 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile

4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile (PubChem CID 172625809) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile
PubChem CID172625809
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile
SMILESN#Cc1ccc(C(N)C(=O)N2CC3(CC3)c3ccc(OC(F)(F)F)cc32)cc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)28-14-5-6-15-16(9-14)26(11-19(15)7-8-19)18(27)17(25)13-3-1-12(10-24)2-4-13/h1-6,9,17H,7-8,11,25H2
InChIKeyNQVKXADJXHLURW-UHFFFAOYSA-N
XLogP3.54
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-2-(5-chloro-2-pyridinyl)-1-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethanone
CID 172625905
3-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]amino]-5-methoxyphenoxy]propanenitrile
CID 178030532
2-bromo-2-(4-chlorophenyl)-1-[6-(difluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethanone
CID 172625713
2-(4-chlorophenyl)-2-[3-(1-hydroxy-2-methylpropan-2-yl)oxy-5-methoxyanilino]-1-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethanone
CID 178030517
2-amino-2-(2-chloro-4-methylphenyl)-1-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethanone;2-[(E)-(3-methoxyphenyl)methylideneamino]oxy-2-methylpropanoic acid
CID 172625754
2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethanone
CID 172625768
2-(4-chloro-2-methoxyphenyl)-2-[3-(3-hydroxyprop-1-ynyl)-5-methoxyanilino]-1-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethanone
CID 178030524
2-(4-chlorophenyl)-2-[3-[(E)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-C-methylcarbonimidoyl]-5-methoxyanilino]-1-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethanone
CID 172625864
(2S)-4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methoxybutanoic acid
CID 178030504
2-[3-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]amino]-5-methoxyphenoxy]propanoylamino]acetic acid
CID 178030515
2-[(E)-1-[3-[[1-(2,4-dichlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]amino]-5-methoxyphenyl]ethylideneamino]oxy-2-methylpropanoic acid
CID 172625911
2-methyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 105005386

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile?
The IUPAC name of 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile (CID 172625809) is 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile?
The canonical SMILES for 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile is N#Cc1ccc(C(N)C(=O)N2CC3(CC3)c3ccc(OC(F)(F)F)cc32)cc1.
What is the InChIKey of 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile?
The InChIKey is NQVKXADJXHLURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)28-14-5-6-15-16(9-14)26(11-19(15)7-8-19)18(27)17(25)13-3-1-12(10-24)2-4-13/h1-6,9,17H,7-8,11,25H2.
What are the key properties of 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile?
4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile has a molecular weight of 387.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-oxo-2-[6-(trifluoromethoxy)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethyl]benzonitrile is sourced from PubChem (CID 172625809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).