2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate

C104H81Cl6F12N15O12S — CID 159840470

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate (PubChem CID 159840470) has the molecular formula C104H81Cl6F12N15O12S and a molecular weight of 2205.65 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
• PubChem CID: 159840470
• Molecular Formula: C104H81Cl6F12N15O12S
• Molecular Weight: 2205.65 g/mol
• Exact Mass: 2201.38
• IUPAC Name: 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
• SMILES: CNC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.COC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)cn3)c2)cc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)cn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CNCC(F)(F)F)cc1Cl
• InChI: InChI=1S/C21H16Cl2F3N3O.C21H16ClF3N4O2.C21H15ClF3N3O3.C21H19ClN2O4S.C20H15ClF3N3O2/c22-17-7-5-14(10-16(17)19-3-1-2-8-28-19)29-20(30)15-6-4-13(9-18(15)23)11-27-12-21(24,25)26;1-11-14(5-8-18(28-11)21(23,24)25)20(31)29-13-4-6-16(22)15(9-13)17-7-3-12(10-27-17)19(30)26-2;1-11-14(5-8-18(27-11)21(23,24)25)19(29)28-13-4-6-16(22)15(9-13)17-7-3-12(10-26-17)20(30)31-2;1-29(27,28)13-14-2-5-16(6-3-14)21(26)24-17-7-8-19(22)18(10-17)20-9-4-15(12-25)11-23-20;1-11-14(4-7-18(26-11)20(22,23)24)19(29)27-13-3-5-16(21)15(8-13)17-6-2-12(10-28)9-25-17/h1-10,27H,11-12H2,(H,29,30);3-10H,1-2H3,(H,26,30)(H,29,31);3-10H,1-2H3,(H,28,29);2-11,25H,12-13H2,1H3,(H,24,26);2-9,28H,10H2,1H3,(H,27,29)
• InChIKey: NOPOGFSOKGIREA-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 390.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.65
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?

The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate (CID 159840470) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate.

What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?

The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate is CNC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.COC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)cn3)c2)cc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)cn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CNCC(F)(F)F)cc1Cl.

What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?

The InChIKey is NOPOGFSOKGIREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2F3N3O.C21H16ClF3N4O2.C21H15ClF3N3O3.C21H19ClN2O4S.C20H15ClF3N3O2/c22-17-7-5-14(10-16(17)19-3-1-2-8-28-19)29-20(30)15-6-4-13(9-18(15)23)11-27-12-21(24,25)26;1-11-14(5-8-18(28-11)21(23,24)25)20(31)29-13-4-6-16(22)15(9-13)17-7-3-12(10-27-17)19(30)26-2;1-11-14(5-8-18(27-11)21(23,24)25)19(29)28-13-4-6-16(22)15(9-13)17-7-3-12(10-26-17)20(30)31-2;1-29(27,28)13-14-2-5-16(6-3-14)21(26)24-17-7-8-19(22)18(10-17)20-9-4-15(12-25)11-23-20;1-11-14(4-7-18(26-11)20(22,23)24)19(29)27-13-3-5-16(21)15(8-13)17-6-2-12(10-28)9-25-17/h1-10,27H,11-12H2,(H,29,30);3-10H,1-2H3,(H,26,30)(H,29,31);3-10H,1-2H3,(H,28,29);2-11,25H,12-13H2,1H3,(H,24,26);2-9,28H,10H2,1H3,(H,27,29).

What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate has a molecular weight of 2205.65 g/mol, XLogP of 24.42, 24 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 159840470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).