5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole

C21H13Cl3F3N — CID 141320249

IUPAC5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESFC(F)(F)C1(c2cc(Cl)c(Cl)c(Cl)c2)CN=C(c2cccc3ccccc23)C1
InChIInChI=1S/C21H13Cl3F3N/c22-16-8-13(9-17(23)19(16)24)20(21(25,26)27)10-18(28-11-20)15-7-3-5-12-4-1-2-6-14(12)15/h1-9H,10-11H2
InChIKeyWFEIWMNOISXXBJ-UHFFFAOYSA-N
MW442.70 g/mol
LogP7.49
Rot. Bonds2

About 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole

5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (PubChem CID 141320249) has the molecular formula C21H13Cl3F3N and a molecular weight of 442.70 g/mol. Its IUPAC name is 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.

Molecular Properties

Compound Name5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
PubChem CID141320249
Molecular FormulaC21H13Cl3F3N
Molecular Weight442.70 g/mol
Exact Mass441.01
IUPAC Name5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESFC(F)(F)C1(c2cc(Cl)c(Cl)c(Cl)c2)CN=C(c2cccc3ccccc23)C1
InChIInChI=1S/C21H13Cl3F3N/c22-16-8-13(9-17(23)19(16)24)20(21(25,26)27)10-18(28-11-20)15-7-3-5-12-4-1-2-6-14(12)15/h1-9H,10-11H2
InChIKeyWFEIWMNOISXXBJ-UHFFFAOYSA-N
XLogP7.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.70
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole 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-{4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]naphthalen-1-yl}methanamine
CID 58092075
4-[3-(3,4,5-Trichlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2-(trifluoromethyl)benzonitrile
CID 58270965
2-Methyl-4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]benzonitrile
CID 58270975
2-Fluoro-5-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]benzonitrile
CID 87090964
3-(3,5-Dichlorophenyl)-5-(4-methylnaphthalen-1-yl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 123355766
5-(4-Methylnaphthalen-1-yl)-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 124007475
6-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine
CID 134216632
3-(3,5-Dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 141305933
(3R)-3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 141313916
3-(3,5-Dichlorophenyl)-5-naphthalen-1-yl-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 141320251
5-(3-Chlorophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 141330886
3-(3,5-dichlorophenyl)-5-(1H-inden-5-yl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 141392504

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The IUPAC name of 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (CID 141320249) is 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.
What is the SMILES notation for 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The canonical SMILES for 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is FC(F)(F)C1(c2cc(Cl)c(Cl)c(Cl)c2)CN=C(c2cccc3ccccc23)C1.
What is the InChIKey of 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The InChIKey is WFEIWMNOISXXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3F3N/c22-16-8-13(9-17(23)19(16)24)20(21(25,26)27)10-18(28-11-20)15-7-3-5-12-4-1-2-6-14(12)15/h1-9H,10-11H2.
What are the key properties of 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole has a molecular weight of 442.70 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is sourced from PubChem (CID 141320249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).