2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide

C19H15Cl6NO3 — CID 19356552

About 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide

2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide (PubChem CID 19356552) has the molecular formula C19H15Cl6NO3 and a molecular weight of 518.05 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide
• PubChem CID: 19356552
• Molecular Formula: C19H15Cl6NO3
• Molecular Weight: 518.05 g/mol
• Exact Mass: 514.92
• IUPAC Name: 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide
• SMILES: O=C(NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C19H15Cl6NO3/c20-11-2-3-13(14(21)8-11)19(27)26-5-1-6-29-18-15(22)9-12(10-16(18)23)28-7-4-17(24)25/h2-4,8-10H,1,5-7H2,(H,26,27)
• InChIKey: UCMUIZQFAKBCJS-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.05
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide (CID 19356552) is 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide is O=C(NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccc(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide?

The InChIKey is UCMUIZQFAKBCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl6NO3/c20-11-2-3-13(14(21)8-11)19(27)26-5-1-6-29-18-15(22)9-12(10-16(18)23)28-7-4-17(24)25/h2-4,8-10H,1,5-7H2,(H,26,27).

What are the key properties of 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide?

2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide has a molecular weight of 518.05 g/mol, XLogP of 7.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]benzamide is sourced from PubChem (CID 19356552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).