2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide

C24H17Cl4FN2O2 — CID 175133019

About 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide

2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide (PubChem CID 175133019) has the molecular formula C24H17Cl4FN2O2 and a molecular weight of 526.22 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide
• PubChem CID: 175133019
• Molecular Formula: C24H17Cl4FN2O2
• Molecular Weight: 526.22 g/mol
• Exact Mass: 524.00
• IUPAC Name: 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide
• SMILES: Cc1ccccc1NC(=O)c1cc(NC(=O)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C24H17Cl4FN2O2/c1-12-4-2-3-5-19(12)31-22(32)15-11-14(7-8-16(15)25)30-23(33)21-20(24(21,27)28)13-6-9-18(29)17(26)10-13/h2-11,20-21H,1H3,(H,30,33)(H,31,32)
• InChIKey: QBBTYMFRMMPHRJ-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.22
LogP ≤ 5	7.22
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-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide?

The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide (CID 175133019) is 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide.

What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide?

The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cc(NC(=O)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide?

The InChIKey is QBBTYMFRMMPHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl4FN2O2/c1-12-4-2-3-5-19(12)31-22(32)15-11-14(7-8-16(15)25)30-23(33)21-20(24(21,27)28)13-6-9-18(29)17(26)10-13/h2-11,20-21H,1H3,(H,30,33)(H,31,32).

What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide?

2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide has a molecular weight of 526.22 g/mol, XLogP of 7.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 175133019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).