3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one

C17H13ClF3NO — CID 132820779

IUPAC3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one
SMILESCN1C(=O)C(Cc2ccc(Cl)cc2)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H13ClF3NO/c1-22-14-5-3-2-4-13(14)16(15(22)23,17(19,20)21)10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3
InChIKeyIQBMPDWRQLTSAQ-UHFFFAOYSA-N
MW339.74 g/mol
LogP4.36
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one

3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one (PubChem CID 132820779) has the molecular formula C17H13ClF3NO and a molecular weight of 339.74 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one
PubChem CID132820779
Molecular FormulaC17H13ClF3NO
Molecular Weight339.74 g/mol
Exact Mass339.06
IUPAC Name3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one
SMILESCN1C(=O)C(Cc2ccc(Cl)cc2)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H13ClF3NO/c1-22-14-5-3-2-4-13(14)16(15(22)23,17(19,20)21)10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3
InChIKeyIQBMPDWRQLTSAQ-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)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-[(4-methylphenyl)methyl]-3-(trifluoromethyl)indol-2-one
CID 132820776
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
3-[(4-chlorophenyl)methyl]-1-ethyl-3-methylindol-2-one
CID 122371126
5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 102474299
(3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one
CID 138984006
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
3-chloro-1-methyl-3-(trichloromethyl)indol-2-one
CID 121215854
(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
CID 135062562
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one
CID 123708459
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
(2R,4R)-4-[(4-chlorophenoxy)methyl]-1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 1253453

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one (CID 132820779) is 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one is CN1C(=O)C(Cc2ccc(Cl)cc2)(C(F)(F)F)c2ccccc21.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one?
The InChIKey is IQBMPDWRQLTSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO/c1-22-14-5-3-2-4-13(14)16(15(22)23,17(19,20)21)10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one?
3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one has a molecular weight of 339.74 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one is sourced from PubChem (CID 132820779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).