1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione

C19H16ClNO3 — CID 110582624

IUPAC1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)c1
InChIInChI=1S/C19H16ClNO3/c1-11-3-8-15(12(2)9-11)16-17(22)19(24)21(18(16)23)10-13-4-6-14(20)7-5-13/h3-9,22H,10H2,1-2H3
InChIKeyPXIAAVGSAKLSJU-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.79
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione

1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 110582624) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID110582624
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)c1
InChIInChI=1S/C19H16ClNO3/c1-11-3-8-15(12(2)9-11)16-17(22)19(24)21(18(16)23)10-13-4-6-14(20)7-5-13/h3-9,22H,10H2,1-2H3
InChIKeyPXIAAVGSAKLSJU-UHFFFAOYSA-N
XLogP3.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.79
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 1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione (CID 110582624) is 1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione is Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is PXIAAVGSAKLSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-11-3-8-15(12(2)9-11)16-17(22)19(24)21(18(16)23)10-13-4-6-14(20)7-5-13/h3-9,22H,10H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 341.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110582624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).