aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum

C17H19Cl2CoN3O5Pt — CID 175608739

About aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum

aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum (PubChem CID 175608739) has the molecular formula C17H19Cl2CoN3O5Pt and a molecular weight of 670.27 g/mol. Its IUPAC name is aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum.

Molecular Properties

• Compound Name: aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum
• PubChem CID: 175608739
• Molecular Formula: C17H19Cl2CoN3O5Pt
• Molecular Weight: 670.27 g/mol
• Exact Mass: 668.97
• IUPAC Name: aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum
• SMILES: Nc1ccccc1.O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl.[Co].[Pt]
• InChI: InChI=1S/C11H12Cl2N2O5.C6H7N.Co.Pt/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20;7-6-4-2-1-3-5-6;;/h1-4,8-10,16-17H,5H2,(H,14,18);1-5H,7H2
• InChIKey: OHMGPOPWLMOKMD-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 138.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.27
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum?

The IUPAC name of aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum (CID 175608739) is aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum.

What is the SMILES notation for aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum?

The canonical SMILES for aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum is Nc1ccccc1.O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl.[Co].[Pt].

What is the InChIKey of aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum?

The InChIKey is OHMGPOPWLMOKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O5.C6H7N.Co.Pt/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20;7-6-4-2-1-3-5-6;;/h1-4,8-10,16-17H,5H2,(H,14,18);1-5H,7H2;;.

What are the key properties of aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum?

aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum has a molecular weight of 670.27 g/mol, XLogP of 2.17, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum is sourced from PubChem (CID 175608739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).