2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide

C89H64Cl8N16O11S2 — CID 157369752

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide (PubChem CID 157369752) has the molecular formula C89H64Cl8N16O11S2 and a molecular weight of 1881.35 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide
• PubChem CID: 157369752
• Molecular Formula: C89H64Cl8N16O11S2
• Molecular Weight: 1881.35 g/mol
• Exact Mass: 1876.19
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide
• SMILES: Cn1nccc1NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(NC1=NCCS1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)C2)cc1Cl.O=C(Nc1ccno1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
• InChI: InChI=1S/C23H17Cl2N5O2.C22H14Cl2N4O3.C22H16Cl2N4O2S.C22H17Cl2N3O4S/c1-30-21(9-11-27-30)29-22(31)14-5-7-16(19(25)12-14)23(32)28-15-6-8-18(24)17(13-15)20-4-2-3-10-26-20;23-17-7-5-14(12-16(17)19-3-1-2-9-25-19)27-22(30)15-6-4-13(11-18(15)24)21(29)28-20-8-10-26-31-20;23-17-7-5-14(12-16(17)19-3-1-2-8-25-19)27-21(30)15-6-4-13(11-18(15)24)20(29)28-22-26-9-10-31-22;23-18-7-5-15(12-17(18)20-3-1-2-8-25-20)26-21(28)16-6-4-14(11-19(16)24)22(29)27-9-10-32(30,31)13-27/h2-13H,1H3,(H,28,32)(H,29,31);1-12H,(H,27,30)(H,28,29);1-8,11-12H,9-10H2,(H,27,30)(H,26,28,29);1-8,11-12H,9-10,13H2,(H,26,28)
• InChIKey: BJPRAHFWLPXUGH-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 365.92 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1881.35
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide (CID 157369752) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide is Cn1nccc1NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(NC1=NCCS1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)C2)cc1Cl.O=C(Nc1ccno1)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-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide?

The InChIKey is BJPRAHFWLPXUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N5O2.C22H14Cl2N4O3.C22H16Cl2N4O2S.C22H17Cl2N3O4S/c1-30-21(9-11-27-30)29-22(31)14-5-7-16(19(25)12-14)23(32)28-15-6-8-18(24)17(13-15)20-4-2-3-10-26-20;23-17-7-5-14(12-16(17)19-3-1-2-9-25-19)27-22(30)15-6-4-13(11-18(15)24)21(29)28-20-8-10-26-31-20;23-17-7-5-14(12-16(17)19-3-1-2-8-25-19)27-21(30)15-6-4-13(11-18(15)24)20(29)28-22-26-9-10-31-22;23-18-7-5-15(12-17(18)20-3-1-2-8-25-20)26-21(28)16-6-4-14(11-19(16)24)22(29)27-9-10-32(30,31)13-27/h2-13H,1H3,(H,28,32)(H,29,31);1-12H,(H,27,30)(H,28,29);1-8,11-12H,9-10H2,(H,27,30)(H,26,28,29);1-8,11-12H,9-10,13H2,(H,26,28).

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide has a molecular weight of 1881.35 g/mol, XLogP of 20.12, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(1,2-oxazol-5-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 157369752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).