2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide

C25H26Cl3F2N3O4 — CID 166988547

About 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide

2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide (PubChem CID 166988547) has the molecular formula C25H26Cl3F2N3O4 and a molecular weight of 576.86 g/mol. Its IUPAC name is 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide
• PubChem CID: 166988547
• Molecular Formula: C25H26Cl3F2N3O4
• Molecular Weight: 576.86 g/mol
• Exact Mass: 575.10
• IUPAC Name: 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide
• SMILES: CCCN(C(=O)C(C)OCC)c1c(F)ccc(NC(=O)c2cc(NC(=O)C3CC3(Cl)Cl)ccc2Cl)c1F
• InChI: InChI=1S/C25H26Cl3F2N3O4/c1-4-10-33(24(36)13(3)37-5-2)21-18(29)8-9-19(20(21)30)32-22(34)15-11-14(6-7-17(15)26)31-23(35)16-12-25(16,27)28/h6-9,11,13,16H,4-5,10,12H2,1-3H3,(H,31,35)(H,32,34)
• InChIKey: FAWAAIXANPIMPA-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.86
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide?

The IUPAC name of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide (CID 166988547) is 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide.

What is the SMILES notation for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide?

The canonical SMILES for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide is CCCN(C(=O)C(C)OCC)c1c(F)ccc(NC(=O)c2cc(NC(=O)C3CC3(Cl)Cl)ccc2Cl)c1F.

What is the InChIKey of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide?

The InChIKey is FAWAAIXANPIMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl3F2N3O4/c1-4-10-33(24(36)13(3)37-5-2)21-18(29)8-9-19(20(21)30)32-22(34)15-11-14(6-7-17(15)26)31-23(35)16-12-25(16,27)28/h6-9,11,13,16H,4-5,10,12H2,1-3H3,(H,31,35)(H,32,34).

What are the key properties of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide?

2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide has a molecular weight of 576.86 g/mol, XLogP of 6.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide is sourced from PubChem (CID 166988547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).