5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole

C17H11Cl3F3N — CID 141437572

IUPAC5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESFC(F)(F)C1(c2cc(Cl)c(Cl)c(Cl)c2)CN=C(c2ccccc2)C1
InChIInChI=1S/C17H11Cl3F3N/c18-12-6-11(7-13(19)15(12)20)16(17(21,22)23)8-14(24-9-16)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyIWZQAXZSIUZEPX-UHFFFAOYSA-N
MW392.64 g/mol
LogP6.34
Rot. Bonds2

About 5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole

5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (PubChem CID 141437572) has the molecular formula C17H11Cl3F3N and a molecular weight of 392.64 g/mol. Its IUPAC name is 5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.

Molecular Properties

Compound Name5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
PubChem CID141437572
Molecular FormulaC17H11Cl3F3N
Molecular Weight392.64 g/mol
Exact Mass390.99
IUPAC Name5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESFC(F)(F)C1(c2cc(Cl)c(Cl)c(Cl)c2)CN=C(c2ccccc2)C1
InChIInChI=1S/C17H11Cl3F3N/c18-12-6-11(7-13(19)15(12)20)16(17(21,22)23)8-14(24-9-16)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyIWZQAXZSIUZEPX-UHFFFAOYSA-N
XLogP6.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.64
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-phenyl-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

3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 141437549
[4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]phenyl]hydrazine
CID 87424545
2-bromo-4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]aniline
CID 87168052
1-[3-fluoro-3-[4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]phenyl]azetidin-1-yl]ethanone
CID 90013786
4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-(trifluoromethyl)benzoic acid;4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-(trifluoromethyl)benzonitrile
CID 158053818
2-(1,2,4-triazol-1-yl)-5-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]aniline
CID 88982266
N-[[2-methyl-4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]phenyl]methyl]propanamide
CID 123495545
2-methyl-N-[(1-oxothietan-2-yl)methyl]-4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]benzamide
CID 135184540
1-[4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylphenyl]ethenol
CID 89286093
2-methyl-N-(2-oxooxathiolan-4-yl)-4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]benzamide
CID 155415888
2-methyl-N-[(1-oxothietan-3-yl)methyl]-4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]benzamide
CID 135184560
[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]naphthalen-1-yl]methanamine
CID 58092075

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The IUPAC name of 5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (CID 141437572) is 5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.
What is the SMILES notation for 5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The canonical SMILES for 5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is FC(F)(F)C1(c2cc(Cl)c(Cl)c(Cl)c2)CN=C(c2ccccc2)C1.
What is the InChIKey of 5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The InChIKey is IWZQAXZSIUZEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3F3N/c18-12-6-11(7-13(19)15(12)20)16(17(21,22)23)8-14(24-9-16)10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole has a molecular weight of 392.64 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is sourced from PubChem (CID 141437572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).