2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide

C23H17Cl4N3O3 — CID 3645170

About 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide

2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 3645170) has the molecular formula C23H17Cl4N3O3 and a molecular weight of 525.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
• PubChem CID: 3645170
• Molecular Formula: C23H17Cl4N3O3
• Molecular Weight: 525.22 g/mol
• Exact Mass: 523.00
• IUPAC Name: 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
• SMILES: CC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C23H17Cl4N3O3/c1-13(29-30-22(31)12-33-21-9-5-16(25)11-20(21)27)14-2-6-17(7-3-14)28-23(32)18-8-4-15(24)10-19(18)26/h2-11H,12H2,1H3,(H,28,32)(H,30,31)
• InChIKey: YCFQFSFKNNJBLZ-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.22
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
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-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide (CID 3645170) is 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide is CC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.

What is the InChIKey of 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?

The InChIKey is YCFQFSFKNNJBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl4N3O3/c1-13(29-30-22(31)12-33-21-9-5-16(25)11-20(21)27)14-2-6-17(7-3-14)28-23(32)18-8-4-15(24)10-19(18)26/h2-11H,12H2,1H3,(H,28,32)(H,30,31).

What are the key properties of 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?

2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 525.22 g/mol, XLogP of 6.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 3645170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).