2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide

C29H23Cl2N3O3 — CID 6261065

About 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide

2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 6261065) has the molecular formula C29H23Cl2N3O3 and a molecular weight of 532.43 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
• PubChem CID: 6261065
• Molecular Formula: C29H23Cl2N3O3
• Molecular Weight: 532.43 g/mol
• Exact Mass: 531.11
• IUPAC Name: 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
• SMILES: C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
• InChI: InChI=1S/C29H23Cl2N3O3/c1-19(20-9-8-14-24(17-20)32-27(35)25-16-15-23(30)18-26(25)31)33-34-28(36)29(37,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-18,37H,1H3,(H,32,35)(H,34,36)/b33-19-
• InChIKey: FUTYCDWVGRIJQP-APTWKGOFSA-N
• XLogP: 6.02
• TPSA: 90.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.43
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide (CID 6261065) is 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.

What is the InChIKey of 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?

The InChIKey is FUTYCDWVGRIJQP-APTWKGOFSA-N. The full InChI is InChI=1S/C29H23Cl2N3O3/c1-19(20-9-8-14-24(17-20)32-27(35)25-16-15-23(30)18-26(25)31)33-34-28(36)29(37,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-18,37H,1H3,(H,32,35)(H,34,36)/b33-19-.

What are the key properties of 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?

2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 532.43 g/mol, XLogP of 6.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 6261065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).