2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide

C20H16Cl6N2O2 — CID 122621076

About 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide

2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide (PubChem CID 122621076) has the molecular formula C20H16Cl6N2O2 and a molecular weight of 529.08 g/mol. Its IUPAC name is 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide
• PubChem CID: 122621076
• Molecular Formula: C20H16Cl6N2O2
• Molecular Weight: 529.08 g/mol
• Exact Mass: 525.93
• IUPAC Name: 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide
• SMILES: CCCNC(=O)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c(Cl)cc1Cl
• InChI: InChI=1S/C20H16Cl6N2O2/c1-2-3-27-18(29)12-7-15(14(24)8-13(12)23)28-19(30)17-16(20(17,25)26)9-4-10(21)6-11(22)5-9/h4-8,16-17H,2-3H2,1H3,(H,27,29)(H,28,30)/t16-,17+/m0/s1
• InChIKey: PDXLSKOZYAJOLP-DLBZAZTESA-N
• XLogP: 6.97
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.08
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide?

The IUPAC name of 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide (CID 122621076) is 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide.

What is the SMILES notation for 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide?

The canonical SMILES for 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide?

The InChIKey is PDXLSKOZYAJOLP-DLBZAZTESA-N. The full InChI is InChI=1S/C20H16Cl6N2O2/c1-2-3-27-18(29)12-7-15(14(24)8-13(12)23)28-19(30)17-16(20(17,25)26)9-4-10(21)6-11(22)5-9/h4-8,16-17H,2-3H2,1H3,(H,27,29)(H,28,30)/t16-,17+/m0/s1.

What are the key properties of 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide?

2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide has a molecular weight of 529.08 g/mol, XLogP of 6.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide is sourced from PubChem (CID 122621076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).