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

C24H15BrF6N2O — CID 3729204

IUPAC2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESO=C1C(Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H15BrF6N2O/c25-17-9-7-14(8-10-17)21-13-20(32-18-5-1-3-15(11-18)23(26,27)28)22(34)33(21)19-6-2-4-16(12-19)24(29,30)31/h1-13,21,32H
InChIKeyMBECZPPLDQUYFX-UHFFFAOYSA-N
MW541.29 g/mol
LogP7.57
Rot. Bonds4

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

2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 3729204) has the molecular formula C24H15BrF6N2O and a molecular weight of 541.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID3729204
Molecular FormulaC24H15BrF6N2O
Molecular Weight541.29 g/mol
Exact Mass540.03
IUPAC Name2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESO=C1C(Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H15BrF6N2O/c25-17-9-7-14(8-10-17)21-13-20(32-18-5-1-3-15(11-18)23(26,27)28)22(34)33(21)19-6-2-4-16(12-19)24(29,30)31/h1-13,21,32H
InChIKeyMBECZPPLDQUYFX-UHFFFAOYSA-N
XLogP7.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.29
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-iodophenyl)-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 162713246
2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 4916628
2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 70965380
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008455
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 124529511
4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid
CID 29012168
(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 1121145
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
2-[3-(1,1-difluoroethyl)phenyl]-4-[4-(difluoromethoxy)anilino]-1-[4-(difluoromethyl)phenyl]-2H-pyrrol-5-one
CID 143883239
(5R)-5-tert-butyl-3-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-indol-2-one
CID 42554789
(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 1075189

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 3729204) is 2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is O=C1C(Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is MBECZPPLDQUYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrF6N2O/c25-17-9-7-14(8-10-17)21-13-20(32-18-5-1-3-15(11-18)23(26,27)28)22(34)33(21)19-6-2-4-16(12-19)24(29,30)31/h1-13,21,32H.
What are the key properties of 2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 541.29 g/mol, XLogP of 7.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 3729204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).