[4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone

C20H17F3N2O — CID 163372641

IUPAC[4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone
SMILESC/C=N/c1cc(C)c(C(=O)n2ccc3cc(C(F)(F)F)ccc32)cc1C
InChIInChI=1S/C20H17F3N2O/c1-4-24-17-10-12(2)16(9-13(17)3)19(26)25-8-7-14-11-15(20(21,22)23)5-6-18(14)25/h4-11H,1-3H3/b24-4+
InChIKeyNRLPVBWXSGHWBX-FZZGJVLGSA-N
MW358.36 g/mol
LogP5.69
Rot. Bonds2

About [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone

[4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone (PubChem CID 163372641) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone.

Molecular Properties

Compound Name[4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone
PubChem CID163372641
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC Name[4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone
SMILESC/C=N/c1cc(C)c(C(=O)n2ccc3cc(C(F)(F)F)ccc32)cc1C
InChIInChI=1S/C20H17F3N2O/c1-4-24-17-10-12(2)16(9-13(17)3)19(26)25-8-7-14-11-15(20(21,22)23)5-6-18(14)25/h4-11H,1-3H3/b24-4+
InChIKeyNRLPVBWXSGHWBX-FZZGJVLGSA-N
XLogP5.69
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.36
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]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 [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone?
The IUPAC name of [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone (CID 163372641) is [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone.
What is the SMILES notation for [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone?
The canonical SMILES for [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone is C/C=N/c1cc(C)c(C(=O)n2ccc3cc(C(F)(F)F)ccc32)cc1C.
What is the InChIKey of [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone?
The InChIKey is NRLPVBWXSGHWBX-FZZGJVLGSA-N. The full InChI is InChI=1S/C20H17F3N2O/c1-4-24-17-10-12(2)16(9-13(17)3)19(26)25-8-7-14-11-15(20(21,22)23)5-6-18(14)25/h4-11H,1-3H3/b24-4+.
What are the key properties of [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone?
[4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone has a molecular weight of 358.36 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone is sourced from PubChem (CID 163372641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).