2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide

C70H61Cl5N10O9S — CID 158160609

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide (PubChem CID 158160609) has the molecular formula C70H61Cl5N10O9S and a molecular weight of 1395.65 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide
• PubChem CID: 158160609
• Molecular Formula: C70H61Cl5N10O9S
• Molecular Weight: 1395.65 g/mol
• Exact Mass: 1392.28
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide
• SMILES: CN(C)CCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1.C[C@@H](O)CNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
• InChI: InChI=1S/C25H18Cl2N4O3.C23H24ClN3O3S.C22H19Cl2N3O3/c1-34-23-10-7-17(14-29-23)31-24(32)15-5-8-18(21(27)12-15)25(33)30-16-6-9-20(26)19(13-16)22-4-2-3-11-28-22;1-27(2)13-14-31(29,30)16-17-6-8-18(9-7-17)23(28)26-19-10-11-21(24)20(15-19)22-5-3-4-12-25-22;1-13(28)12-26-21(29)14-5-7-16(19(24)10-14)22(30)27-15-6-8-18(23)17(11-15)20-4-2-3-9-25-20/h2-14H,1H3,(H,30,33)(H,31,32);3-12,15H,13-14,16H2,1-2H3,(H,26,28);2-11,13,28H,12H2,1H3,(H,26,29)(H,27,30)/t;;13-/m..1/s1
• InChIKey: FWFLUKJAATZDAF-QULCKEJLSA-N
• XLogP: 14.51
• TPSA: 263.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1395.65
LogP ≤ 5	14.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide (CID 158160609) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide is CN(C)CCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1.C[C@@H](O)CNC(=O)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-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide?

The InChIKey is FWFLUKJAATZDAF-QULCKEJLSA-N. The full InChI is InChI=1S/C25H18Cl2N4O3.C23H24ClN3O3S.C22H19Cl2N3O3/c1-34-23-10-7-17(14-29-23)31-24(32)15-5-8-18(21(27)12-15)25(33)30-16-6-9-20(26)19(13-16)22-4-2-3-11-28-22;1-27(2)13-14-31(29,30)16-17-6-8-18(9-7-17)23(28)26-19-10-11-21(24)20(15-19)22-5-3-4-12-25-22;1-13(28)12-26-21(29)14-5-7-16(19(24)10-14)22(30)27-15-6-8-18(23)17(11-15)20-4-2-3-9-25-20/h2-14H,1H3,(H,30,33)(H,31,32);3-12,15H,13-14,16H2,1-2H3,(H,26,28);2-11,13,28H,12H2,1H3,(H,26,29)(H,27,30)/t;;13-/m..1/s1.

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide has a molecular weight of 1395.65 g/mol, XLogP of 14.51, 20 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide is sourced from PubChem (CID 158160609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).