3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one

C17H14F3NO — CID 102325825

IUPAC3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one
SMILESCN1C(=O)C(Cc2ccccc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H14F3NO/c1-21-15-8-7-12(17(18,19)20)10-13(15)14(16(21)22)9-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3
InChIKeyZNJNEQIMHYTMKT-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.01
Rot. Bonds2

About 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one

3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one (PubChem CID 102325825) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one
PubChem CID102325825
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one
SMILESCN1C(=O)C(Cc2ccccc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H14F3NO/c1-21-15-8-7-12(17(18,19)20)10-13(15)14(16(21)22)9-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3
InChIKeyZNJNEQIMHYTMKT-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one 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

1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-3H-indol-2-one
CID 102339891
3-benzyl-5-chloro-1-methyl-3H-indol-2-one
CID 11043888
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126
N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide
CID 169260706
(3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one
CID 102346099
3-(1-methyl-2-oxo-3H-indol-3-yl)propanoic acid
CID 14956191
(4R,5R)-4-benzyl-5-[2-iodo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 66716628
(3aS)-5-methyl-2-phenyl-8-(trifluoromethyl)-3,3a-dihydro-1H-imidazo[1,5-a]quinoxalin-4-one
CID 167433622
3-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409
5-bromo-1-methyl-3-[(2-methylphenyl)methyl]-3H-indol-2-one
CID 43912532
1-[3-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]ethanone
CID 15526300
(3S,6S)-6-benzyl-1-methyl-3-propan-2-yl-1,4-diazepane-2,5,7-trione
CID 139584922

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one?
The IUPAC name of 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one (CID 102325825) is 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one.
What is the SMILES notation for 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one?
The canonical SMILES for 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one is CN1C(=O)C(Cc2ccccc2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one?
The InChIKey is ZNJNEQIMHYTMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c1-21-15-8-7-12(17(18,19)20)10-13(15)14(16(21)22)9-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3.
What are the key properties of 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one?
3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one has a molecular weight of 305.30 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one is sourced from PubChem (CID 102325825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).