1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione

C25H21ClN2O3 — CID 110574357

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)C(c2ccc(C)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C25H21ClN2O3/c1-16-9-11-17(12-10-16)22-23(27(2)19-7-5-4-6-8-19)25(30)28(24(22)29)20-15-18(26)13-14-21(20)31-3/h4-15H,1-3H3
InChIKeyNIDPUIRSUDIDSJ-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.08
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione

1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110574357) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110574357
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)C(c2ccc(C)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C25H21ClN2O3/c1-16-9-11-17(12-10-16)22-23(27(2)19-7-5-4-6-8-19)25(30)28(24(22)29)20-15-18(26)13-14-21(20)31-3/h4-15H,1-3H3
InChIKeyNIDPUIRSUDIDSJ-UHFFFAOYSA-N
XLogP5.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573960
1-(2-fluorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573548
3-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595852
3-(N-methylanilino)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574208
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571146
3-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571214
N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563580
1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110558315
3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione
CID 110569696

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110574357) is 1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is COc1ccc(Cl)cc1N1C(=O)C(c2ccc(C)cc2)=C(N(C)c2ccccc2)C1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is NIDPUIRSUDIDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-16-9-11-17(12-10-16)22-23(27(2)19-7-5-4-6-8-19)25(30)28(24(22)29)20-15-18(26)13-14-21(20)31-3/h4-15H,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 432.91 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110574357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).