1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione

C25H28ClN3O2 — CID 110574407

IUPAC1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)C3CCN(C)CC3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1
InChIInChI=1S/C25H28ClN3O2/c1-16-5-7-18(8-6-16)22-23(28(4)20-11-13-27(3)14-12-20)25(31)29(24(22)30)21-10-9-19(26)15-17(21)2/h5-10,15,20H,11-14H2,1-4H3
InChIKeyBABSIMIENAPRKQ-UHFFFAOYSA-N
MW437.97 g/mol
LogP4.27
Rot. Bonds4

About 1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione

1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110574407) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110574407
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)C3CCN(C)CC3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1
InChIInChI=1S/C25H28ClN3O2/c1-16-5-7-18(8-6-16)22-23(28(4)20-11-13-27(3)14-12-20)25(31)29(24(22)30)21-10-9-19(26)15-17(21)2/h5-10,15,20H,11-14H2,1-4H3
InChIKeyBABSIMIENAPRKQ-UHFFFAOYSA-N
XLogP4.27
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574378
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110570872
1-(2,5-dimethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573666
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110545214
3-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110550642
3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584265
1-(2,3-dimethylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110560986
3-(3,4-dimethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110565082
1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110566846
1-(3,4-difluorophenyl)-3-(4-fluorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110545929
3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110574287
3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110572252

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110574407) is 1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N(C)C3CCN(C)CC3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is BABSIMIENAPRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-16-5-7-18(8-6-16)22-23(28(4)20-11-13-27(3)14-12-20)25(31)29(24(22)30)21-10-9-19(26)15-17(21)2/h5-10,15,20H,11-14H2,1-4H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione?
1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 437.97 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110574407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).