3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione

C19H16Cl2N2O2 — CID 165019801

IUPAC3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCc1c(Cl)cc(NC2=CC(=O)N(CCc3ccccc3)C2=O)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-12-15(20)9-14(10-16(12)21)22-17-11-18(24)23(19(17)25)8-7-13-5-3-2-4-6-13/h2-6,9-11,22H,7-8H2,1H3
InChIKeyXCUHCIXNYNVPET-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.21
Rot. Bonds5

About 3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione

3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 165019801) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID165019801
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCc1c(Cl)cc(NC2=CC(=O)N(CCc3ccccc3)C2=O)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-12-15(20)9-14(10-16(12)21)22-17-11-18(24)23(19(17)25)8-7-13-5-3-2-4-6-13/h2-6,9-11,22H,7-8H2,1H3
InChIKeyXCUHCIXNYNVPET-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
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-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione (CID 165019801) is 3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione is Cc1c(Cl)cc(NC2=CC(=O)N(CCc3ccccc3)C2=O)cc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is XCUHCIXNYNVPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-12-15(20)9-14(10-16(12)21)22-17-11-18(24)23(19(17)25)8-7-13-5-3-2-4-6-13/h2-6,9-11,22H,7-8H2,1H3.
What are the key properties of 3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 375.26 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 165019801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).