N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide

C30H26Cl2N2O5 — CID 126328524

About N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide

N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 126328524) has the molecular formula C30H26Cl2N2O5 and a molecular weight of 565.45 g/mol. Its IUPAC name is N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

• Compound Name: N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
• PubChem CID: 126328524
• Molecular Formula: C30H26Cl2N2O5
• Molecular Weight: 565.45 g/mol
• Exact Mass: 564.12
• IUPAC Name: N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
• SMILES: COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OCc1ccccc1
• InChI: InChI=1S/C30H26Cl2N2O5/c1-36-27-16-23(11-12-26(27)38-18-20-7-4-3-5-8-20)30(35)34-33-17-22-14-25(32)29(28(15-22)37-2)39-19-21-9-6-10-24(31)13-21/h3-17H,18-19H2,1-2H3,(H,34,35)/b33-17+
• InChIKey: WKJVWGHRURXLRT-ATZGPIRCSA-N
• XLogP: 6.93
• TPSA: 78.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.45
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide?

The IUPAC name of N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide (CID 126328524) is N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide.

What is the SMILES notation for N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide?

The canonical SMILES for N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OCc1ccccc1.

What is the InChIKey of N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide?

The InChIKey is WKJVWGHRURXLRT-ATZGPIRCSA-N. The full InChI is InChI=1S/C30H26Cl2N2O5/c1-36-27-16-23(11-12-26(27)38-18-20-7-4-3-5-8-20)30(35)34-33-17-22-14-25(32)29(28(15-22)37-2)39-19-21-9-6-10-24(31)13-21/h3-17H,18-19H2,1-2H3,(H,34,35)/b33-17+.

What are the key properties of N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide?

N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 565.45 g/mol, XLogP of 6.93, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 126328524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).