2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide

C23H23Cl5N2O4 — CID 122622248

About 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide (PubChem CID 122622248) has the molecular formula C23H23Cl5N2O4 and a molecular weight of 568.71 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide
• PubChem CID: 122622248
• Molecular Formula: C23H23Cl5N2O4
• Molecular Weight: 568.71 g/mol
• Exact Mass: 566.01
• IUPAC Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide
• SMILES: COCCOCCCNC(=O)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C23H23Cl5N2O4/c1-33-7-8-34-6-2-5-29-21(31)17-12-16(3-4-18(17)26)30-22(32)20-19(23(20,27)28)13-9-14(24)11-15(25)10-13/h3-4,9-12,19-20H,2,5-8H2,1H3,(H,29,31)(H,30,32)/t19-,20+/m0/s1
• InChIKey: MAWQQLUAIDJZON-VQTJNVASSA-N
• XLogP: 5.96
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.71
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide?

The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide (CID 122622248) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide.

What is the SMILES notation for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide?

The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide is COCCOCCCNC(=O)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide?

The InChIKey is MAWQQLUAIDJZON-VQTJNVASSA-N. The full InChI is InChI=1S/C23H23Cl5N2O4/c1-33-7-8-34-6-2-5-29-21(31)17-12-16(3-4-18(17)26)30-22(32)20-19(23(20,27)28)13-9-14(24)11-15(25)10-13/h3-4,9-12,19-20H,2,5-8H2,1H3,(H,29,31)(H,30,32)/t19-,20+/m0/s1.

What are the key properties of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide?

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide has a molecular weight of 568.71 g/mol, XLogP of 5.96, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide is sourced from PubChem (CID 122622248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).