3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C18H11Cl2F3N2O2 — CID 155806126

IUPAC3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NCc2ccc(Cl)cc2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11Cl2F3N2O2/c19-12-6-4-10(5-7-12)9-24-15-14(20)16(26)25(17(15)27)13-3-1-2-11(8-13)18(21,22)23/h1-8,24H,9H2
InChIKeyOZSALAZVQAHPBT-UHFFFAOYSA-N
MW415.20 g/mol
LogP4.47
Rot. Bonds4

About 3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 155806126) has the molecular formula C18H11Cl2F3N2O2 and a molecular weight of 415.20 g/mol. Its IUPAC name is 3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID155806126
Molecular FormulaC18H11Cl2F3N2O2
Molecular Weight415.20 g/mol
Exact Mass414.01
IUPAC Name3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NCc2ccc(Cl)cc2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11Cl2F3N2O2/c19-12-6-4-10(5-7-12)9-24-15-14(20)16(26)25(17(15)27)13-3-1-2-11(8-13)18(21,22)23/h1-8,24H,9H2
InChIKeyOZSALAZVQAHPBT-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.20
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3-methoxyanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180917
4-[[2-[4-[[4-chloro-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]amino]phenyl]acetyl]amino]benzamide
CID 1408357
2-[4-[[4-chloro-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]amino]phenyl]-N-(4-methoxyphenyl)acetamide
CID 1408344
2-[4-[[4-chloro-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]amino]phenyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 1408356
2-[4-[[4-chloro-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]amino]phenyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 1408341
3-(4-chlorophenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110570484
N-[(4-chlorophenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188634
4,5,6,7-tetrachloro-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]isoindole-1,3-dione
CID 53233695
3-chloro-4-(N-ethylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180927
3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110583854
2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 102195126
(6aR)-3-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6578395

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 155806126) is 3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1C(Cl)=C(NCc2ccc(Cl)cc2)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is OZSALAZVQAHPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N2O2/c19-12-6-4-10(5-7-12)9-24-15-14(20)16(26)25(17(15)27)13-3-1-2-11(8-13)18(21,22)23/h1-8,24H,9H2.
What are the key properties of 3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 415.20 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chlorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 155806126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).