2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide

C93H81Cl8N15O10S — CID 160855350

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide (PubChem CID 160855350) has the molecular formula C93H81Cl8N15O10S and a molecular weight of 1884.46 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
• PubChem CID: 160855350
• Molecular Formula: C93H81Cl8N15O10S
• Molecular Weight: 1884.46 g/mol
• Exact Mass: 1879.35
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
• SMILES: CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)CCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)n(C)n1.O=C(NCC1CCNCC1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
• InChI: InChI=1S/C25H24Cl2N4O2.C24H19Cl2N5O2.C22H19Cl2N3O4S.C22H19Cl2N3O2/c26-21-7-5-18(14-20(21)23-3-1-2-10-29-23)31-25(33)19-6-4-17(13-22(19)27)24(32)30-15-16-8-11-28-12-9-16;1-14-11-22(31(2)30-14)29-23(32)15-6-8-17(20(26)12-15)24(33)28-16-7-9-19(25)18(13-16)21-5-3-4-10-27-21;1-32(30,31)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;1-13(2)26-21(28)14-6-8-16(19(24)11-14)22(29)27-15-7-9-18(23)17(12-15)20-5-3-4-10-25-20/h1-7,10,13-14,16,28H,8-9,11-12,15H2,(H,30,32)(H,31,33);3-13H,1-2H3,(H,28,33)(H,29,32);2-9,12-13H,10-11H2,1H3,(H,26,28)(H,27,29);3-13H,1-2H3,(H,26,28)(H,27,29)
• InChIKey: SJUCGVKCBWHFMV-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 348.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.46
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide (CID 160855350) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide is CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)CCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)n(C)n1.O=C(NCC1CCNCC1)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-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?

The InChIKey is SJUCGVKCBWHFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2.C24H19Cl2N5O2.C22H19Cl2N3O4S.C22H19Cl2N3O2/c26-21-7-5-18(14-20(21)23-3-1-2-10-29-23)31-25(33)19-6-4-17(13-22(19)27)24(32)30-15-16-8-11-28-12-9-16;1-14-11-22(31(2)30-14)29-23(32)15-6-8-17(20(26)12-15)24(33)28-16-7-9-19(25)18(13-16)21-5-3-4-10-27-21;1-32(30,31)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;1-13(2)26-21(28)14-6-8-16(19(24)11-14)22(29)27-15-7-9-18(23)17(12-15)20-5-3-4-10-25-20/h1-7,10,13-14,16,28H,8-9,11-12,15H2,(H,30,32)(H,31,33);3-13H,1-2H3,(H,28,33)(H,29,32);2-9,12-13H,10-11H2,1H3,(H,26,28)(H,27,29);3-13H,1-2H3,(H,26,28)(H,27,29).

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 1884.46 g/mol, XLogP of 20.17, 23 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,5-dimethylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 160855350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).