N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

C25H24ClN7O4 — CID 135599781

About N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 135599781) has the molecular formula C25H24ClN7O4 and a molecular weight of 521.97 g/mol. Its IUPAC name is N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
• PubChem CID: 135599781
• Molecular Formula: C25H24ClN7O4
• Molecular Weight: 521.97 g/mol
• Exact Mass: 521.16
• IUPAC Name: N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
• SMILES: O=C(CN1CCN(c2ccccc2)CC1)N/N=C(\N=N\c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O
• InChI: InChI=1S/C25H24ClN7O4/c26-21-16-19(33(36)37)10-11-22(21)27-29-25(20-8-4-5-9-23(20)34)30-28-24(35)17-31-12-14-32(15-13-31)18-6-2-1-3-7-18/h1-11,16,34H,12-15,17H2,(H,28,35)/b29-27+,30-25-
• InChIKey: OPXOKRUIDUUPCA-MBOKJRGUSA-N
• XLogP: 4.34
• TPSA: 136.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.97
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?

The IUPAC name of N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (CID 135599781) is N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.

What is the SMILES notation for N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?

The canonical SMILES for N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)N/N=C(\N=N\c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O.

What is the InChIKey of N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?

The InChIKey is OPXOKRUIDUUPCA-MBOKJRGUSA-N. The full InChI is InChI=1S/C25H24ClN7O4/c26-21-16-19(33(36)37)10-11-22(21)27-29-25(20-8-4-5-9-23(20)34)30-28-24(35)17-31-12-14-32(15-13-31)18-6-2-1-3-7-18/h1-11,16,34H,12-15,17H2,(H,28,35)/b29-27+,30-25-.

What are the key properties of N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?

N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 521.97 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 135599781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).