3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione

C20H19ClN2O4 — CID 110596964

IUPAC3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(C)C2=O)cc1OC
InChIInChI=1S/C20H19ClN2O4/c1-11-13(21)6-5-7-14(11)22-18-17(19(24)23(2)20(18)25)12-8-9-15(26-3)16(10-12)27-4/h5-10,22H,1-4H3
InChIKeyCMPABXPRUMXKFA-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.49
Rot. Bonds5

About 3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione

3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione (PubChem CID 110596964) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione
PubChem CID110596964
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(C)C2=O)cc1OC
InChIInChI=1S/C20H19ClN2O4/c1-11-13(21)6-5-7-14(11)22-18-17(19(24)23(2)20(18)25)12-8-9-15(26-3)16(10-12)27-4/h5-10,22H,1-4H3
InChIKeyCMPABXPRUMXKFA-UHFFFAOYSA-N
XLogP3.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-2-methylanilino)-4-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110588520
3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110597154
3-(3-chloro-2-methylanilino)-1-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587137
3-(3-chloro-2-methylanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594725
3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110597186
3-(3-chloro-2-methylanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594589
1-(3-butoxypropyl)-3-(3-chloro-2-methylanilino)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589142
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110598292
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110597976
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110597292
N-[4-[4-(3-chloro-2-methylanilino)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596461
3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598450

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione (CID 110596964) is 3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione is COc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(C)C2=O)cc1OC.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione?
The InChIKey is CMPABXPRUMXKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-11-13(21)6-5-7-14(11)22-18-17(19(24)23(2)20(18)25)12-8-9-15(26-3)16(10-12)27-4/h5-10,22H,1-4H3.
What are the key properties of 3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione?
3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione has a molecular weight of 386.84 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 110596964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).