3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione

C24H27ClN2O4 — CID 110597759

IUPAC3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2cc(Cl)ccc2C)C(=O)N(CCCOC(C)C)C1=O
InChIInChI=1S/C24H27ClN2O4/c1-15(2)31-13-7-12-27-23(28)21(18-8-5-6-9-20(18)30-4)22(24(27)29)26-19-14-17(25)11-10-16(19)3/h5-6,8-11,14-15,26H,7,12-13H2,1-4H3
InChIKeyUIYISUYZZBYSAS-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.66
Rot. Bonds9

About 3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione

3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione (PubChem CID 110597759) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
PubChem CID110597759
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2cc(Cl)ccc2C)C(=O)N(CCCOC(C)C)C1=O
InChIInChI=1S/C24H27ClN2O4/c1-15(2)31-13-7-12-27-23(28)21(18-8-5-6-9-20(18)30-4)22(24(27)29)26-19-14-17(25)11-10-16(19)3/h5-6,8-11,14-15,26H,7,12-13H2,1-4H3
InChIKeyUIYISUYZZBYSAS-UHFFFAOYSA-N
XLogP4.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110597765
3-(5-chloro-2-methylanilino)-4-phenyl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110594677
3-(5-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110586368
3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110589015
3-(5-chloro-2-methylanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594593
1-(3-butoxypropyl)-3-(5-chloro-2-methylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593113
1-(3-butoxypropyl)-3-(5-chloro-2-methylanilino)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589144
3-(1,3-benzodioxol-5-ylamino)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110566021
3-(5-chloro-2-methylanilino)-1-[3-(dimethylamino)phenyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598587
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110599397
1-benzyl-3-(5-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)pyrrole-2,5-dione
CID 110596883
3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110597986

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione (CID 110597759) is 3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione is COc1ccccc1C1=C(Nc2cc(Cl)ccc2C)C(=O)N(CCCOC(C)C)C1=O.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione?
The InChIKey is UIYISUYZZBYSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c1-15(2)31-13-7-12-27-23(28)21(18-8-5-6-9-20(18)30-4)22(24(27)29)26-19-14-17(25)11-10-16(19)3/h5-6,8-11,14-15,26H,7,12-13H2,1-4H3.
What are the key properties of 3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione?
3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione has a molecular weight of 442.94 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110597759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).