2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide

C24H14Cl5FN2O3 — CID 122630121

About 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide (PubChem CID 122630121) has the molecular formula C24H14Cl5FN2O3 and a molecular weight of 574.65 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide
• PubChem CID: 122630121
• Molecular Formula: C24H14Cl5FN2O3
• Molecular Weight: 574.65 g/mol
• Exact Mass: 571.94
• IUPAC Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide
• SMILES: O=Cc1ccc(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(F)c1
• InChI: InChI=1S/C24H14Cl5FN2O3/c25-13-6-12(7-14(26)8-13)20-21(24(20,28)29)23(35)31-15-2-3-17(27)16(9-15)22(34)32-19-4-1-11(10-33)5-18(19)30/h1-10,20-21H,(H,31,35)(H,32,34)
• InChIKey: GXUHYGBRXMBCCK-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 75.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.65
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide?

The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide (CID 122630121) is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide.

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

The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide is O=Cc1ccc(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(F)c1.

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

The InChIKey is GXUHYGBRXMBCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl5FN2O3/c25-13-6-12(7-14(26)8-13)20-21(24(20,28)29)23(35)31-15-2-3-17(27)16(9-15)22(34)32-19-4-1-11(10-33)5-18(19)30/h1-10,20-21H,(H,31,35)(H,32,34).

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

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide has a molecular weight of 574.65 g/mol, XLogP of 7.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide is sourced from PubChem (CID 122630121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).