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

C23H15Cl4F2N3O2 — CID 134418271

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

N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 134418271) has the molecular formula C23H15Cl4F2N3O2 and a molecular weight of 545.20 g/mol. Its IUPAC name is N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

• Compound Name: N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
• PubChem CID: 134418271
• Molecular Formula: C23H15Cl4F2N3O2
• Molecular Weight: 545.20 g/mol
• Exact Mass: 542.99
• IUPAC Name: N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
• SMILES: Nc1c(F)ccc(NC(=O)c2cc(NC(=O)C3C(c4ccc(Cl)cc4)C3(Cl)Cl)ccc2Cl)c1F
• InChI: InChI=1S/C23H15Cl4F2N3O2/c24-11-3-1-10(2-4-11)17-18(23(17,26)27)22(34)31-12-5-6-14(25)13(9-12)21(33)32-16-8-7-15(28)20(30)19(16)29/h1-9,17-18H,30H2,(H,31,34)(H,32,33)
• InChIKey: KUUYFSPCIWRVTL-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 84.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.20
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide (CID 134418271) is N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide.

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

The canonical SMILES for N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide is Nc1c(F)ccc(NC(=O)c2cc(NC(=O)C3C(c4ccc(Cl)cc4)C3(Cl)Cl)ccc2Cl)c1F.

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

The InChIKey is KUUYFSPCIWRVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl4F2N3O2/c24-11-3-1-10(2-4-11)17-18(23(17,26)27)22(34)31-12-5-6-14(25)13(9-12)21(33)32-16-8-7-15(28)20(30)19(16)29/h1-9,17-18H,30H2,(H,31,34)(H,32,33).

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

N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 545.20 g/mol, XLogP of 6.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 134418271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).