2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

C24H15F6IN2O — CID 162713246

IUPAC2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESO=C1C(Nc2ccc(C(F)(F)F)cc2)=CC(c2cccc(I)c2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H15F6IN2O/c25-23(26,27)15-4-8-18(9-5-15)32-20-13-21(14-2-1-3-17(31)12-14)33(22(20)34)19-10-6-16(7-11-19)24(28,29)30/h1-13,21,32H
InChIKeyAWLKOFPAVZLJOG-UHFFFAOYSA-N
MW588.29 g/mol
LogP7.41
Rot. Bonds4

About 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 162713246) has the molecular formula C24H15F6IN2O and a molecular weight of 588.29 g/mol. Its IUPAC name is 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID162713246
Molecular FormulaC24H15F6IN2O
Molecular Weight588.29 g/mol
Exact Mass588.01
IUPAC Name2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESO=C1C(Nc2ccc(C(F)(F)F)cc2)=CC(c2cccc(I)c2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H15F6IN2O/c25-23(26,27)15-4-8-18(9-5-15)32-20-13-21(14-2-1-3-17(31)12-14)33(22(20)34)19-10-6-16(7-11-19)24(28,29)30/h1-13,21,32H
InChIKeyAWLKOFPAVZLJOG-UHFFFAOYSA-N
XLogP7.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.29
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one 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-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 70965380
2-[3-(1,1-difluoroethyl)phenyl]-4-[4-(difluoromethoxy)anilino]-1-[4-(difluoromethyl)phenyl]-2H-pyrrol-5-one
CID 143883239
(2R)-4-(2-phenylethylamino)-2-[3-(2,2,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 87581414
2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 3729204
(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 1075189
4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2875789
(2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one
CID 86650870
2-(1,3-benzodioxol-5-yl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 4693509
(3S,5S)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-5-(3-iodophenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 162713222
1-[4-(difluoromethoxy)phenyl]-4-(1-phenylethylamino)-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 77201391
(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 124529511
(2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one
CID 7046542

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 162713246) is 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is O=C1C(Nc2ccc(C(F)(F)F)cc2)=CC(c2cccc(I)c2)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is AWLKOFPAVZLJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F6IN2O/c25-23(26,27)15-4-8-18(9-5-15)32-20-13-21(14-2-1-3-17(31)12-14)33(22(20)34)19-10-6-16(7-11-19)24(28,29)30/h1-13,21,32H.
What are the key properties of 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 588.29 g/mol, XLogP of 7.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 162713246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).