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

C13H13ClN2O2 — CID 138527412

IUPAC1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(Nc2cc(C)cc(Cl)c2)C1=O
InChIInChI=1S/C13H13ClN2O2/c1-7-4-10(14)6-11(5-7)15-16-12(17)8(2)9(3)13(16)18/h4-6,15H,1-3H3
InChIKeyCOWDKJJEEWLETR-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.68
Rot. Bonds2

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

1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 138527412) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione
PubChem CID138527412
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(Nc2cc(C)cc(Cl)c2)C1=O
InChIInChI=1S/C13H13ClN2O2/c1-7-4-10(14)6-11(5-7)15-16-12(17)8(2)9(3)13(16)18/h4-6,15H,1-3H3
InChIKeyCOWDKJJEEWLETR-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'}

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Related Compounds

1-[3-Chloro-4-(trifluoromethyl)anilino]-3-methylpyrrole-2,5-dione
CID 177168017
3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one
CID 70584936
1-[4-Chloro-3-(trifluoromethyl)anilino]-3,4-dimethylpyrrole-2,5-dione
CID 59840812
1-[2-Chloro-4-(trifluoromethyl)anilino]-3,4-dimethylpyrrole-2,5-dione
CID 59840827
1-[2-Chloro-5-(trifluoromethyl)anilino]-3,4-dimethylpyrrole-2,5-dione
CID 168753757
Pyridazine-3,6(1H,2H)-dione, 1-(3-chloro-4-methyl)-
CID 586925
2-(3-Chlorophenyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 57010345
1-[2-Chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 102022157
1-(3-Chloro-2-methyl-phenyl)-1,2-dihydro-pyridazine-3,6-dione
CID 612895
3,6-Pyridazinedione, 1-(5-chloro-2-methylphenyl)-1,2-dihydro-
CID 613075
2-(3-chloro-4-methylphenyl)-5-methyl-1H-pyrazol-3-one
CID 17802552
1-Anilino-3-(3-chlorophenyl)pyrrole-2,5-dione
CID 18407270

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione (CID 138527412) is 1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(Nc2cc(C)cc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is COWDKJJEEWLETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-4-10(14)6-11(5-7)15-16-12(17)8(2)9(3)13(16)18/h4-6,15H,1-3H3.
What are the key properties of 1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione?
1-(3-chloro-5-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-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 138527412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).