2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide

C98H95Cl8N15O9 — CID 157210374

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 157210374) has the molecular formula C98H95Cl8N15O9 and a molecular weight of 1910.56 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide
• PubChem CID: 157210374
• Molecular Formula: C98H95Cl8N15O9
• Molecular Weight: 1910.56 g/mol
• Exact Mass: 1905.49
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide
• SMILES: CCN(CC)CCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CN1CCC(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.COCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(NCCN1CCCC1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
• InChI: InChI=1S/C26H28Cl2N4O2.2C25H24Cl2N4O2.C22H19Cl2N3O3/c1-3-32(4-2)15-7-14-30-25(33)18-9-11-20(23(28)16-18)26(34)31-19-10-12-22(27)21(17-19)24-8-5-6-13-29-24;1-31-12-9-17(10-13-31)29-24(32)16-5-7-19(22(27)14-16)25(33)30-18-6-8-21(26)20(15-18)23-4-2-3-11-28-23;26-21-9-7-18(16-20(21)23-5-1-2-10-28-23)30-25(33)19-8-6-17(15-22(19)27)24(32)29-11-14-31-12-3-4-13-31;1-30-11-10-26-21(28)14-5-7-16(19(24)12-14)22(29)27-15-6-8-18(23)17(13-15)20-4-2-3-9-25-20/h5-6,8-13,16-17H,3-4,7,14-15H2,1-2H3,(H,30,33)(H,31,34);2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,29,32)(H,30,33);1-2,5-10,15-16H,3-4,11-14H2,(H,29,32)(H,30,33);2-9,12-13H,10-11H2,1H3,(H,26,28)(H,27,29)
• InChIKey: ARVAHLAWBFWNLC-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 303.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1910.56
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide (CID 157210374) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide is CCN(CC)CCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CN1CCC(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.COCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(NCCN1CCCC1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.

What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide?

The InChIKey is ARVAHLAWBFWNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O2.2C25H24Cl2N4O2.C22H19Cl2N3O3/c1-3-32(4-2)15-7-14-30-25(33)18-9-11-20(23(28)16-18)26(34)31-19-10-12-22(27)21(17-19)24-8-5-6-13-29-24;1-31-12-9-17(10-13-31)29-24(32)16-5-7-19(22(27)14-16)25(33)30-18-6-8-21(26)20(15-18)23-4-2-3-11-28-23;26-21-9-7-18(16-20(21)23-5-1-2-10-28-23)30-25(33)19-8-6-17(15-22(19)27)24(32)29-11-14-31-12-3-4-13-31;1-30-11-10-26-21(28)14-5-7-16(19(24)12-14)22(29)27-15-6-8-18(23)17(13-15)20-4-2-3-9-25-20/h5-6,8-13,16-17H,3-4,7,14-15H2,1-2H3,(H,30,33)(H,31,34);2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,29,32)(H,30,33);1-2,5-10,15-16H,3-4,11-14H2,(H,29,32)(H,30,33);2-9,12-13H,10-11H2,1H3,(H,26,28)(H,27,29).

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 1910.56 g/mol, XLogP of 20.72, 29 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methoxyethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 157210374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).