2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

C90H80Cl8N12O12 — CID 161423381

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (PubChem CID 161423381) has the molecular formula C90H80Cl8N12O12 and a molecular weight of 1805.33 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
• PubChem CID: 161423381
• Molecular Formula: C90H80Cl8N12O12
• Molecular Weight: 1805.33 g/mol
• Exact Mass: 1800.35
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
• SMILES: COCCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.COC[C@H](C)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.C[C@@H](CO)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(NCCCO)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
• InChI: InChI=1S/2C23H21Cl2N3O3.2C22H19Cl2N3O3/c1-14(13-31-2)27-22(29)15-6-8-17(20(25)11-15)23(30)28-16-7-9-19(24)18(12-16)21-5-3-4-10-26-21;1-31-12-4-11-27-22(29)15-6-8-17(20(25)13-15)23(30)28-16-7-9-19(24)18(14-16)21-5-2-3-10-26-21;1-13(12-28)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;23-18-8-6-15(13-17(18)20-4-1-2-9-25-20)27-22(30)16-7-5-14(12-19(16)24)21(29)26-10-3-11-28/h3-12,14H,13H2,1-2H3,(H,27,29)(H,28,30);2-3,5-10,13-14H,4,11-12H2,1H3,(H,27,29)(H,28,30);2-11,13,28H,12H2,1H3,(H,26,29)(H,27,30);1-2,4-9,12-13,28H,3,10-11H2,(H,26,29)(H,27,30)/t14-;;13-;/m0.0./s1
• InChIKey: VXAMDJJUCOYMSS-LXRUMVPJSA-N
• XLogP: 18.98
• TPSA: 343.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1805.33
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (CID 161423381) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is COCCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.COC[C@H](C)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.C[C@@H](CO)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(NCCCO)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-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?

The InChIKey is VXAMDJJUCOYMSS-LXRUMVPJSA-N. The full InChI is InChI=1S/2C23H21Cl2N3O3.2C22H19Cl2N3O3/c1-14(13-31-2)27-22(29)15-6-8-17(20(25)11-15)23(30)28-16-7-9-19(24)18(12-16)21-5-3-4-10-26-21;1-31-12-4-11-27-22(29)15-6-8-17(20(25)13-15)23(30)28-16-7-9-19(24)18(14-16)21-5-2-3-10-26-21;1-13(12-28)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;23-18-8-6-15(13-17(18)20-4-1-2-9-25-20)27-22(30)16-7-5-14(12-19(16)24)21(29)26-10-3-11-28/h3-12,14H,13H2,1-2H3,(H,27,29)(H,28,30);2-3,5-10,13-14H,4,11-12H2,1H3,(H,27,29)(H,28,30);2-11,13,28H,12H2,1H3,(H,26,29)(H,27,30);1-2,4-9,12-13,28H,3,10-11H2,(H,26,29)(H,27,30)/t14-;;13-;/m0.0./s1.

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide has a molecular weight of 1805.33 g/mol, XLogP of 18.98, 28 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-hydroxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-hydroxypropyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 161423381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).