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

C13H13ClN2O2 — CID 58230223

IUPAC1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(Nc2ccc(C)cc2Cl)C1=O
InChIInChI=1S/C13H13ClN2O2/c1-7-4-5-11(10(14)6-7)15-16-12(17)8(2)9(3)13(16)18/h4-6,15H,1-3H3
InChIKeyJAELIOTUJLDXOA-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.68
Rot. Bonds2

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

1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 58230223) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione
PubChem CID58230223
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(Nc2ccc(C)cc2Cl)C1=O
InChIInChI=1S/C13H13ClN2O2/c1-7-4-5-11(10(14)6-7)15-16-12(17)8(2)9(3)13(16)18/h4-6,15H,1-3H3
InChIKeyJAELIOTUJLDXOA-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N,4-dimethylaniline;formaldehyde
CID 177231502
2-chloro-4-methyl-N-propan-2-ylaniline
CID 28876969
1-(2-chloro-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)thiourea
CID 12881218
5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28967528
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione
CID 58230278
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
2-chloro-4-methyl-N-pentan-3-ylaniline
CID 28967739

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione (CID 58230223) is 1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(Nc2ccc(C)cc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is JAELIOTUJLDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-4-5-11(10(14)6-7)15-16-12(17)8(2)9(3)13(16)18/h4-6,15H,1-3H3.
What are the key properties of 1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione?
1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 264.71 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 58230223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).