3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione

C104H94Cl2F4N12O16 — CID 164974398

About 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione

3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione (PubChem CID 164974398) has the molecular formula C104H94Cl2F4N12O16 and a molecular weight of 1914.86 g/mol. Its IUPAC name is 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
• PubChem CID: 164974398
• Molecular Formula: C104H94Cl2F4N12O16
• Molecular Weight: 1914.86 g/mol
• Exact Mass: 1912.62
• IUPAC Name: 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
• SMILES: C=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Cc4ccc(Cl)cc4)c3)C2=O)C(=O)N1.C=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Cc4ccc(F)c(F)c4)c3)C2=O)C(=O)N1.C=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Cc4ccc(F)cc4F)c3)C2=O)C(=O)N1.C=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Cc4cccc(Cl)c4)c3)C2=O)C(=O)N1
• InChI: InChI=1S/2C26H24ClN3O4.2C26H23F2N3O4/c1-16-8-11-23(25(33)28-16)30-24(32)15-22(26(30)34)29-20-7-3-4-17(13-20)9-10-21(31)14-18-5-2-6-19(27)12-18;1-16-5-12-23(25(33)28-16)30-24(32)15-22(26(30)34)29-20-4-2-3-17(13-20)8-11-21(31)14-18-6-9-19(27)10-7-18;1-15-5-10-23(25(34)29-15)31-24(33)14-22(26(31)35)30-19-4-2-3-16(11-19)6-9-20(32)12-17-7-8-18(27)13-21(17)28;1-15-5-10-23(25(34)29-15)31-24(33)14-22(26(31)35)30-18-4-2-3-16(11-18)6-8-19(32)12-17-7-9-20(27)21(28)13-17/h2-7,12-13,15,23,29H,1,8-11,14H2,(H,28,33);2-4,6-7,9-10,13,15,23,29H,1,5,8,11-12,14H2,(H,28,33);2-4,7-8,11,13-14,23,30H,1,5-6,9-10,12H2,(H,29,34);2-4,7,9,11,13-14,23,30H,1,5-6,8,10,12H2,(H,29,34)
• InChIKey: DOLWHVHHBRSUEF-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 382.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1914.86
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?

The IUPAC name of 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione (CID 164974398) is 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione.

What is the SMILES notation for 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?

The canonical SMILES for 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione is C=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Cc4ccc(Cl)cc4)c3)C2=O)C(=O)N1.C=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Cc4ccc(F)c(F)c4)c3)C2=O)C(=O)N1.C=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Cc4ccc(F)cc4F)c3)C2=O)C(=O)N1.C=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Cc4cccc(Cl)c4)c3)C2=O)C(=O)N1.

What is the InChIKey of 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?

The InChIKey is DOLWHVHHBRSUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24ClN3O4.2C26H23F2N3O4/c1-16-8-11-23(25(33)28-16)30-24(32)15-22(26(30)34)29-20-7-3-4-17(13-20)9-10-21(31)14-18-5-2-6-19(27)12-18;1-16-5-12-23(25(33)28-16)30-24(32)15-22(26(30)34)29-20-4-2-3-17(13-20)8-11-21(31)14-18-6-9-19(27)10-7-18;1-15-5-10-23(25(34)29-15)31-24(33)14-22(26(31)35)30-19-4-2-3-16(11-19)6-9-20(32)12-17-7-8-18(27)13-21(17)28;1-15-5-10-23(25(34)29-15)31-24(33)14-22(26(31)35)30-18-4-2-3-16(11-18)6-8-19(32)12-17-7-9-20(27)21(28)13-17/h2-7,12-13,15,23,29H,1,8-11,14H2,(H,28,33);2-4,6-7,9-10,13,15,23,29H,1,5,8,11-12,14H2,(H,28,33);2-4,7-8,11,13-14,23,30H,1,5-6,9-10,12H2,(H,29,34);2-4,7,9,11,13-14,23,30H,1,5-6,8,10,12H2,(H,29,34).

What are the key properties of 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?

3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione has a molecular weight of 1914.86 g/mol, XLogP of 13.41, 32 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 164974398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).