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

C20H16Cl6N2O2 — CID 122621226

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

2,3-dichloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide (PubChem CID 122621226) has the molecular formula C20H16Cl6N2O2 and a molecular weight of 529.08 g/mol. Its IUPAC name is 2,3-dichloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide.

Molecular Properties

• Compound Name: 2,3-dichloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide
• PubChem CID: 122621226
• Molecular Formula: C20H16Cl6N2O2
• Molecular Weight: 529.08 g/mol
• Exact Mass: 525.93
• IUPAC Name: 2,3-dichloro-5-[[(1S,3S)-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)cc(Cl)c1Cl
• InChI: InChI=1S/C20H16Cl6N2O2/c1-2-3-27-18(29)13-7-12(8-14(23)17(13)24)28-19(30)16-15(20(16,25)26)9-4-10(21)6-11(22)5-9/h4-8,15-16H,2-3H2,1H3,(H,27,29)(H,28,30)/t15-,16+/m1/s1
• InChIKey: NPADRRWILAIJHN-CVEARBPZSA-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 2,3-dichloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide?

The IUPAC name of 2,3-dichloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide (CID 122621226) is 2,3-dichloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide.

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

The canonical SMILES for 2,3-dichloro-5-[[(1S,3S)-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)cc(Cl)c1Cl.

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

The InChIKey is NPADRRWILAIJHN-CVEARBPZSA-N. The full InChI is InChI=1S/C20H16Cl6N2O2/c1-2-3-27-18(29)13-7-12(8-14(23)17(13)24)28-19(30)16-15(20(16,25)26)9-4-10(21)6-11(22)5-9/h4-8,15-16H,2-3H2,1H3,(H,27,29)(H,28,30)/t15-,16+/m1/s1.

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

2,3-dichloro-5-[[(1S,3S)-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 2,3-dichloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide is sourced from PubChem (CID 122621226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).