[1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone

C20H18F3NO2 — CID 162552113

IUPAC[1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone
SMILESCCn1c(C)c(C(=O)c2ccc(C)cc2)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C20H18F3NO2/c1-4-24-13(3)18(19(25)14-7-5-12(2)6-8-14)16-11-15(9-10-17(16)24)26-20(21,22)23/h5-11H,4H2,1-3H3
InChIKeyRVJSEOAIGZIBCH-UHFFFAOYSA-N
MW361.36 g/mol
LogP5.41
Rot. Bonds4

About [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone

[1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone (PubChem CID 162552113) has the molecular formula C20H18F3NO2 and a molecular weight of 361.36 g/mol. Its IUPAC name is [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone
PubChem CID162552113
Molecular FormulaC20H18F3NO2
Molecular Weight361.36 g/mol
Exact Mass361.13
IUPAC Name[1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone
SMILESCCn1c(C)c(C(=O)c2ccc(C)cc2)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C20H18F3NO2/c1-4-24-13(3)18(19(25)14-7-5-12(2)6-8-14)16-11-15(9-10-17(16)24)26-20(21,22)23/h5-11H,4H2,1-3H3
InChIKeyRVJSEOAIGZIBCH-UHFFFAOYSA-N
XLogP5.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.36
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone (CID 162552113) is [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone is CCn1c(C)c(C(=O)c2ccc(C)cc2)c2cc(OC(F)(F)F)ccc21.
What is the InChIKey of [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone?
The InChIKey is RVJSEOAIGZIBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO2/c1-4-24-13(3)18(19(25)14-7-5-12(2)6-8-14)16-11-15(9-10-17(16)24)26-20(21,22)23/h5-11H,4H2,1-3H3.
What are the key properties of [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone?
[1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone has a molecular weight of 361.36 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 162552113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).