2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide

C19H14Cl6N2O2 — CID 122622328

About 2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide

2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide (PubChem CID 122622328) has the molecular formula C19H14Cl6N2O2 and a molecular weight of 515.05 g/mol. Its IUPAC name is 2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide.

Molecular Properties

• Compound Name: 2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
• PubChem CID: 122622328
• Molecular Formula: C19H14Cl6N2O2
• Molecular Weight: 515.05 g/mol
• Exact Mass: 511.92
• IUPAC Name: 2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
• SMILES: CCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)cc(Cl)c1Cl
• InChI: InChI=1S/C19H14Cl6N2O2/c1-2-26-17(28)12-6-11(7-13(22)16(12)23)27-18(29)15-14(19(15,24)25)8-3-9(20)5-10(21)4-8/h3-7,14-15H,2H2,1H3,(H,26,28)(H,27,29)
• InChIKey: QVFYWICGQKHDSI-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.05
LogP ≤ 5	6.58
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-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?

The IUPAC name of 2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide (CID 122622328) is 2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide.

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

The canonical SMILES for 2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide is CCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)cc(Cl)c1Cl.

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

The InChIKey is QVFYWICGQKHDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl6N2O2/c1-2-26-17(28)12-6-11(7-13(22)16(12)23)27-18(29)15-14(19(15,24)25)8-3-9(20)5-10(21)4-8/h3-7,14-15H,2H2,1H3,(H,26,28)(H,27,29).

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

2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide has a molecular weight of 515.05 g/mol, XLogP of 6.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 122622328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).