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

C21H21ClN2O3 — CID 110597976

IUPAC3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2cccc(Cl)c2C)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C21H21ClN2O3/c1-12(2)24-20(25)18(14-8-5-6-11-17(14)27-4)19(21(24)26)23-16-10-7-9-15(22)13(16)3/h5-12,23H,1-4H3
InChIKeyQONBQGZDFZDPLA-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.26
Rot. Bonds5

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

3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110597976) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110597976
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2cccc(Cl)c2C)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C21H21ClN2O3/c1-12(2)24-20(25)18(14-8-5-6-11-17(14)27-4)19(21(24)26)23-16-10-7-9-15(22)13(16)3/h5-12,23H,1-4H3
InChIKeyQONBQGZDFZDPLA-UHFFFAOYSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110598292
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110597292
3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110597986
3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598450
3-chloro-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110583845
3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110597154
3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione
CID 110596964
3-(3-chloro-2-methylanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594725
3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110598970
3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110595733
3-(3-chloro-2-methylanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594589
1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598653

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione (CID 110597976) is 3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione is COc1ccccc1C1=C(Nc2cccc(Cl)c2C)C(=O)N(C(C)C)C1=O.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is QONBQGZDFZDPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-12(2)24-20(25)18(14-8-5-6-11-17(14)27-4)19(21(24)26)23-16-10-7-9-15(22)13(16)3/h5-12,23H,1-4H3.
What are the key properties of 3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione?
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 384.86 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110597976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).