1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione

C25H21ClN2O5 — CID 110598653

IUPAC1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(NC2=C(c3ccccc3OC)C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1
InChIInChI=1S/C25H21ClN2O5/c1-31-16-12-15(13-17(14-16)32-2)27-23-22(18-8-4-7-11-21(18)33-3)24(29)28(25(23)30)20-10-6-5-9-19(20)26/h4-14,27H,1-3H3
InChIKeyUGNBOHWEFXJVMM-UHFFFAOYSA-N
MW464.91 g/mol
LogP4.76
Rot. Bonds7

About 1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione

1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110598653) has the molecular formula C25H21ClN2O5 and a molecular weight of 464.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110598653
Molecular FormulaC25H21ClN2O5
Molecular Weight464.91 g/mol
Exact Mass464.11
IUPAC Name1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(NC2=C(c3ccccc3OC)C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1
InChIInChI=1S/C25H21ClN2O5/c1-31-16-12-15(13-17(14-16)32-2)27-23-22(18-8-4-7-11-21(18)33-3)24(29)28(25(23)30)20-10-6-5-9-19(20)26/h4-14,27H,1-3H3
InChIKeyUGNBOHWEFXJVMM-UHFFFAOYSA-N
XLogP4.76
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110598556
3-(1,3-benzodioxol-5-ylamino)-1-(2-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567862
1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598255
1-(2-chlorophenyl)-3-(3,4-dimethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593886
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110597292
3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 1185251
3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597827
3-(3-chloro-4-methoxyanilino)-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598315
1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598454
3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110598565
1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567863
1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598014

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110598653) is 1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1cc(NC2=C(c3ccccc3OC)C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is UGNBOHWEFXJVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O5/c1-31-16-12-15(13-17(14-16)32-2)27-23-22(18-8-4-7-11-21(18)33-3)24(29)28(25(23)30)20-10-6-5-9-19(20)26/h4-14,27H,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 464.91 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110598653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).