2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide

C73H66Cl6N8O9S — CID 157301474

About 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide

2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 157301474) has the molecular formula C73H66Cl6N8O9S and a molecular weight of 1444.16 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 157301474
• Molecular Formula: C73H66Cl6N8O9S
• Molecular Weight: 1444.16 g/mol
• Exact Mass: 1440.28
• IUPAC Name: 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
• SMILES: CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(CC(=O)c3ccccc3)c2)c(Cl)c1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(CC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1.O=C(Cc1cc(NC(=O)c2ccc(N3CCC(O)CC3)nc2)ccc1Cl)c1cccc(Cl)c1
• InChI: InChI=1S/C26H26Cl2N4O2.C25H23Cl2N3O3.C22H17Cl2NO4S/c1-16-14-32(15-17(2)30-16)25-9-6-19(13-29-25)26(34)31-22-7-8-23(28)20(11-22)12-24(33)18-4-3-5-21(27)10-18;26-19-3-1-2-16(12-19)23(32)14-18-13-20(5-6-22(18)27)29-25(33)17-4-7-24(28-15-17)30-10-8-21(31)9-11-30;1-30(28,29)17-8-9-18(20(24)13-17)22(27)25-16-7-10-19(23)15(11-16)12-21(26)14-5-3-2-4-6-14/h3-11,13,16-17,30H,12,14-15H2,1-2H3,(H,31,34);1-7,12-13,15,21,31H,8-11,14H2,(H,29,33);2-11,13H,12H2,1H3,(H,25,27)/t16-,17+
• InChIKey: BBYLVIBMMSTRPY-VWDRLOGHSA-N
• XLogP: 15.35
• TPSA: 237.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1444.16
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide (CID 157301474) is 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(CC(=O)c3ccccc3)c2)c(Cl)c1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(CC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1.O=C(Cc1cc(NC(=O)c2ccc(N3CCC(O)CC3)nc2)ccc1Cl)c1cccc(Cl)c1.

What is the InChIKey of 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?

The InChIKey is BBYLVIBMMSTRPY-VWDRLOGHSA-N. The full InChI is InChI=1S/C26H26Cl2N4O2.C25H23Cl2N3O3.C22H17Cl2NO4S/c1-16-14-32(15-17(2)30-16)25-9-6-19(13-29-25)26(34)31-22-7-8-23(28)20(11-22)12-24(33)18-4-3-5-21(27)10-18;26-19-3-1-2-16(12-19)23(32)14-18-13-20(5-6-22(18)27)29-25(33)17-4-7-24(28-15-17)30-10-8-21(31)9-11-30;1-30(28,29)17-8-9-18(20(24)13-17)22(27)25-16-7-10-19(23)15(11-16)12-21(26)14-5-3-2-4-6-14/h3-11,13,16-17,30H,12,14-15H2,1-2H3,(H,31,34);1-7,12-13,15,21,31H,8-11,14H2,(H,29,33);2-11,13H,12H2,1H3,(H,25,27)/t16-,17+;;.

What are the key properties of 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?

2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 1444.16 g/mol, XLogP of 15.35, 18 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 157301474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).