2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide

C26H20Cl2N4O3 — CID 68691124

About 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide

2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide (PubChem CID 68691124) has the molecular formula C26H20Cl2N4O3 and a molecular weight of 507.38 g/mol. Its IUPAC name is 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
• PubChem CID: 68691124
• Molecular Formula: C26H20Cl2N4O3
• Molecular Weight: 507.38 g/mol
• Exact Mass: 506.09
• IUPAC Name: 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
• SMILES: NC(=O)N(c1ccc(Cl)cc1)C(C(=O)N=C1C=CC(=C2C=CC=CN2O)C=C1)c1ccccc1Cl
• InChI: InChI=1S/C26H20Cl2N4O3/c27-18-10-14-20(15-11-18)32(26(29)34)24(21-5-1-2-6-22(21)28)25(33)30-19-12-8-17(9-13-19)23-7-3-4-16-31(23)35/h1-16,24,35H,(H2,29,34)/b23-17-,30-19+
• InChIKey: HELXTENDSGYOOP-QNYPVFJJSA-N
• XLogP: 5.74
• TPSA: 99.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.38
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?

The IUPAC name of 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide (CID 68691124) is 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide.

What is the SMILES notation for 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?

The canonical SMILES for 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide is NC(=O)N(c1ccc(Cl)cc1)C(C(=O)N=C1C=CC(=C2C=CC=CN2O)C=C1)c1ccccc1Cl.

What is the InChIKey of 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?

The InChIKey is HELXTENDSGYOOP-QNYPVFJJSA-N. The full InChI is InChI=1S/C26H20Cl2N4O3/c27-18-10-14-20(15-11-18)32(26(29)34)24(21-5-1-2-6-22(21)28)25(33)30-19-12-8-17(9-13-19)23-7-3-4-16-31(23)35/h1-16,24,35H,(H2,29,34)/b23-17-,30-19+.

What are the key properties of 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide?

2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide has a molecular weight of 507.38 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide is sourced from PubChem (CID 68691124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).