2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide

C32H30Cl5N3O2 — CID 166992621

About 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide (PubChem CID 166992621) has the molecular formula C32H30Cl5N3O2 and a molecular weight of 665.88 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide
• PubChem CID: 166992621
• Molecular Formula: C32H30Cl5N3O2
• Molecular Weight: 665.88 g/mol
• Exact Mass: 663.08
• IUPAC Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide
• SMILES: C/C=C\C=C(/C)CCNc1ccc(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(C)c1
• InChI: InChI=1S/C32H30Cl5N3O2/c1-4-5-6-18(2)11-12-38-23-8-10-27(19(3)13-23)40-30(41)25-17-24(7-9-26(25)35)39-31(42)29-28(32(29,36)37)20-14-21(33)16-22(34)15-20/h4-10,13-17,28-29,38H,11-12H2,1-3H3,(H,39,42)(H,40,41)/b5-4-,18-6+
• InChIKey: KJMARZGWLKOXGG-ZMPDOZHJSA-N
• XLogP: 10.06
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.88
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide?

The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide (CID 166992621) is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide.

What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide?

The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide is C/C=C\C=C(/C)CCNc1ccc(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(C)c1.

What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide?

The InChIKey is KJMARZGWLKOXGG-ZMPDOZHJSA-N. The full InChI is InChI=1S/C32H30Cl5N3O2/c1-4-5-6-18(2)11-12-38-23-8-10-27(19(3)13-23)40-30(41)25-17-24(7-9-26(25)35)39-31(42)29-28(32(29,36)37)20-14-21(33)16-22(34)15-20/h4-10,13-17,28-29,38H,11-12H2,1-3H3,(H,39,42)(H,40,41)/b5-4-,18-6+.

What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide?

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide has a molecular weight of 665.88 g/mol, XLogP of 10.06, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-methyl-4-[[(3E,5Z)-3-methylhepta-3,5-dienyl]amino]phenyl]benzamide is sourced from PubChem (CID 166992621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).