3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione

C19H17ClN2O2 — CID 110599314

IUPAC3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione
SMILESCc1ccc(C)c(NC2=C(c3ccc(Cl)cc3)C(=O)N(C)C2=O)c1
InChIInChI=1S/C19H17ClN2O2/c1-11-4-5-12(2)15(10-11)21-17-16(18(23)22(3)19(17)24)13-6-8-14(20)9-7-13/h4-10,21H,1-3H3
InChIKeyWSJRFKPACNAQCC-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.78
Rot. Bonds3

About 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione

3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione (PubChem CID 110599314) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione
PubChem CID110599314
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione
SMILESCc1ccc(C)c(NC2=C(c3ccc(Cl)cc3)C(=O)N(C)C2=O)c1
InChIInChI=1S/C19H17ClN2O2/c1-11-4-5-12(2)15(10-11)21-17-16(18(23)22(3)19(17)24)13-6-8-14(20)9-7-13/h4-10,21H,1-3H3
InChIKeyWSJRFKPACNAQCC-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.78
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

3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110599397
3-(2,5-dimethylanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione
CID 110587830
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110599982
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110600066
N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596439
1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione
CID 110599709
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110599808
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110600008
1-(5-chloro-2-methylphenyl)-3-(2,5-dimethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593346
3-(5-chloro-2-methylanilino)-1-[(4-methylphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594305
1-(3,4-difluorophenyl)-3-(2,5-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587504
3-(2,5-dimethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110586719

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione (CID 110599314) is 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione is Cc1ccc(C)c(NC2=C(c3ccc(Cl)cc3)C(=O)N(C)C2=O)c1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione?
The InChIKey is WSJRFKPACNAQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-11-4-5-12(2)15(10-11)21-17-16(18(23)22(3)19(17)24)13-6-8-14(20)9-7-13/h4-10,21H,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione has a molecular weight of 340.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 110599314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).