2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide

C19H11Cl3F5N3O3 — CID 134418667

About 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide

2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide (PubChem CID 134418667) has the molecular formula C19H11Cl3F5N3O3 and a molecular weight of 530.66 g/mol. Its IUPAC name is 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
• PubChem CID: 134418667
• Molecular Formula: C19H11Cl3F5N3O3
• Molecular Weight: 530.66 g/mol
• Exact Mass: 528.98
• IUPAC Name: 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
• SMILES: O=C(Nc1cc(NC(=O)C(F)(F)F)c(F)cc1F)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C19H11Cl3F5N3O3/c20-10-2-1-7(28-16(32)9-6-18(9,21)22)3-8(10)15(31)29-13-5-14(12(24)4-11(13)23)30-17(33)19(25,26)27/h1-5,9H,6H2,(H,28,32)(H,29,31)(H,30,33)
• InChIKey: LOVWBCSQEBQYIO-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 87.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.66
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

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-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?

The IUPAC name of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide (CID 134418667) is 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide.

What is the SMILES notation for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?

The canonical SMILES for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide is O=C(Nc1cc(NC(=O)C(F)(F)F)c(F)cc1F)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?

The InChIKey is LOVWBCSQEBQYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3F5N3O3/c20-10-2-1-7(28-16(32)9-6-18(9,21)22)3-8(10)15(31)29-13-5-14(12(24)4-11(13)23)30-17(33)19(25,26)27/h1-5,9H,6H2,(H,28,32)(H,29,31)(H,30,33).

What are the key properties of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?

2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide has a molecular weight of 530.66 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 134418667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).