2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide

C86H70Cl7N17O7 — CID 158127124

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 158127124) has the molecular formula C86H70Cl7N17O7 and a molecular weight of 1701.79 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide
• PubChem CID: 158127124
• Molecular Formula: C86H70Cl7N17O7
• Molecular Weight: 1701.79 g/mol
• Exact Mass: 1697.35
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide
• SMILES: CCN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cnnn2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCNCC2)cc1Cl
• InChI: InChI=1S/C25H24Cl2N4O2.C23H20Cl2N4O2.C19H13Cl2N3O2.C19H13ClN6O/c1-2-30-11-13-31(14-12-30)25(33)17-6-8-19(22(27)15-17)24(32)29-18-7-9-21(26)20(16-18)23-5-3-4-10-28-23;24-19-7-5-16(14-18(19)21-3-1-2-8-27-21)28-22(30)17-6-4-15(13-20(17)25)23(31)29-11-9-26-10-12-29;20-15-7-5-12(10-14(15)17-3-1-2-8-23-17)24-19(26)13-6-4-11(18(22)25)9-16(13)21;20-17-9-6-14(11-16(17)18-3-1-2-10-21-18)23-19(27)13-4-7-15(8-5-13)26-12-22-24-25-26/h3-10,15-16H,2,11-14H2,1H3,(H,29,32);1-8,13-14,26H,9-12H2,(H,28,30);1-10H,(H2,22,25)(H,24,26);1-12H,(H,23,27)
• InChIKey: FSHZDEAOIWAXDM-UHFFFAOYSA-N
• XLogP: 17.48
• TPSA: 310.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1701.79
LogP ≤ 5	17.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide (CID 158127124) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide is CCN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cnnn2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCNCC2)cc1Cl.

What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide?

The InChIKey is FSHZDEAOIWAXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2.C23H20Cl2N4O2.C19H13Cl2N3O2.C19H13ClN6O/c1-2-30-11-13-31(14-12-30)25(33)17-6-8-19(22(27)15-17)24(32)29-18-7-9-21(26)20(16-18)23-5-3-4-10-28-23;24-19-7-5-16(14-18(19)21-3-1-2-8-27-21)28-22(30)17-6-4-15(13-20(17)25)23(31)29-11-9-26-10-12-29;20-15-7-5-12(10-14(15)17-3-1-2-8-23-17)24-19(26)13-6-4-11(18(22)25)9-16(13)21;20-17-9-6-14(11-16(17)18-3-1-2-10-21-18)23-19(27)13-4-7-15(8-5-13)26-12-22-24-25-26/h3-10,15-16H,2,11-14H2,1H3,(H,29,32);1-8,13-14,26H,9-12H2,(H,28,30);1-10H,(H2,22,25)(H,24,26);1-12H,(H,23,27).

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 1701.79 g/mol, XLogP of 17.48, 17 rotatable bonds, 6 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)benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 158127124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).