N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine

C22H14ClF3N2 — CID 56946538

IUPACN-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine
SMILESFC(F)(F)/C(=N\c1ccc(Cl)cc1)n1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C22H14ClF3N2/c23-17-10-12-18(13-11-17)27-21(22(24,25)26)28-19-9-5-4-8-16(19)14-20(28)15-6-2-1-3-7-15/h1-14H/b27-21+
InChIKeyAVDAZCOFYWLGOC-SZXQPVLSSA-N
MW398.82 g/mol
LogP7.10
Rot. Bonds2

About N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine

N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine (PubChem CID 56946538) has the molecular formula C22H14ClF3N2 and a molecular weight of 398.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine
PubChem CID56946538
Molecular FormulaC22H14ClF3N2
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC NameN-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine
SMILESFC(F)(F)/C(=N\c1ccc(Cl)cc1)n1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C22H14ClF3N2/c23-17-10-12-18(13-11-17)27-21(22(24,25)26)28-19-9-5-4-8-16(19)14-20(28)15-6-2-1-3-7-15/h1-14H/b27-21+
InChIKeyAVDAZCOFYWLGOC-SZXQPVLSSA-N
XLogP7.10
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.82
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine 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

(2-chlorophenyl)-(2-phenylindol-1-yl)methanone
CID 146166145
1-(5-chloro-2-phenylindol-1-yl)ethanone
CID 14493114
benzene;1-methyl-2-phenylindole
CID 158316839
2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole
CID 102231233
N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide
CID 87225241
1-[(E)-3-chloroprop-2-enyl]-2-phenylindole
CID 116619067
trifluoro-[(2-phenylindol-1-yl)methyl]boranuide
CID 63702309
1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 2501340
6-chloro-2-(4-chlorophenyl)-1-hydroxyindole
CID 19895715
trimethyl-(2-phenylindol-1-yl)silane
CID 622110
tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
CID 154706702
N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide
CID 134116686

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine?
The IUPAC name of N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine (CID 56946538) is N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine.
What is the SMILES notation for N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine?
The canonical SMILES for N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine is FC(F)(F)/C(=N\c1ccc(Cl)cc1)n1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine?
The InChIKey is AVDAZCOFYWLGOC-SZXQPVLSSA-N. The full InChI is InChI=1S/C22H14ClF3N2/c23-17-10-12-18(13-11-17)27-21(22(24,25)26)28-19-9-5-4-8-16(19)14-20(28)15-6-2-1-3-7-15/h1-14H/b27-21+.
What are the key properties of N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine?
N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine has a molecular weight of 398.82 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine is sourced from PubChem (CID 56946538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).