3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione

C17H10ClF3N2O2 — CID 164616927

IUPAC3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10ClF3N2O2/c18-12-7-2-1-6-11(12)13-14(16(25)23-15(13)24)22-10-5-3-4-9(8-10)17(19,20)21/h1-8H,(H2,22,23,24,25)
InChIKeyPSUQCFHWDCIREZ-UHFFFAOYSA-N
MW366.73 g/mol
LogP3.84
Rot. Bonds3

About 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione

3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (PubChem CID 164616927) has the molecular formula C17H10ClF3N2O2 and a molecular weight of 366.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
PubChem CID164616927
Molecular FormulaC17H10ClF3N2O2
Molecular Weight366.73 g/mol
Exact Mass366.04
IUPAC Name3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10ClF3N2O2/c18-12-7-2-1-6-11(12)13-14(16(25)23-15(13)24)22-10-5-3-4-9(8-10)17(19,20)21/h1-8H,(H2,22,23,24,25)
InChIKeyPSUQCFHWDCIREZ-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (CID 164616927) is 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The InChIKey is PSUQCFHWDCIREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O2/c18-12-7-2-1-6-11(12)13-14(16(25)23-15(13)24)22-10-5-3-4-9(8-10)17(19,20)21/h1-8H,(H2,22,23,24,25).
What are the key properties of 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione has a molecular weight of 366.73 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 164616927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).