3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one

C17H15F3N2O — CID 122390604

IUPAC3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESCC1(NCc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H15F3N2O/c1-16(21-10-11-5-3-2-4-6-11)13-8-7-12(17(18,19)20)9-14(13)22-15(16)23/h2-9,21H,10H2,1H3,(H,22,23)
InChIKeyUZHKCGGPYUYYEH-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.66
Rot. Bonds3

About 3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one

3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 122390604) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID122390604
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESCC1(NCc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H15F3N2O/c1-16(21-10-11-5-3-2-4-6-11)13-8-7-12(17(18,19)20)9-14(13)22-15(16)23/h2-9,21H,10H2,1H3,(H,22,23)
InChIKeyUZHKCGGPYUYYEH-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358151
(3R)-3-amino-2-oxo-6-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 131872457
3-fluoro-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)-6-(trifluoromethyl)-1H-indol-2-one
CID 164519580
(2S)-2-(benzylamino)-7-methyl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
CID 7044994
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 126474574
2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
CID 83397527
6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one
CID 125421520
3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 10970879
N-benzyl-4-fluoro-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
CID 67054701
3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358091
(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358071
3-cyclopropyl-3-methyl-7-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one
CID 115502336

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one (CID 122390604) is 3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one is CC1(NCc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is UZHKCGGPYUYYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-16(21-10-11-5-3-2-4-6-11)13-8-7-12(17(18,19)20)9-14(13)22-15(16)23/h2-9,21H,10H2,1H3,(H,22,23).
What are the key properties of 3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 320.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 122390604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).