2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide

C23H19Cl5F3N3O3 — CID 134418577

About 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide (PubChem CID 134418577) has the molecular formula C23H19Cl5F3N3O3 and a molecular weight of 619.68 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide
• PubChem CID: 134418577
• Molecular Formula: C23H19Cl5F3N3O3
• Molecular Weight: 619.68 g/mol
• Exact Mass: 616.98
• IUPAC Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide
• SMILES: O=C(CCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)NCCC(F)(F)F
• InChI: InChI=1S/C23H19Cl5F3N3O3/c24-12-7-11(8-13(25)9-12)18-19(23(18,27)28)21(37)34-14-1-2-16(26)15(10-14)20(36)33-5-3-17(35)32-6-4-22(29,30)31/h1-2,7-10,18-19H,3-6H2,(H,32,35)(H,33,36)(H,34,37)
• InChIKey: YDLYOQOFURTUJN-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 87.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.68
LogP ≤ 5	6.36
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-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide?

The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide (CID 134418577) is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide.

What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide?

The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide is O=C(CCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)NCCC(F)(F)F.

What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide?

The InChIKey is YDLYOQOFURTUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl5F3N3O3/c24-12-7-11(8-13(25)9-12)18-19(23(18,27)28)21(37)34-14-1-2-16(26)15(10-14)20(36)33-5-3-17(35)32-6-4-22(29,30)31/h1-2,7-10,18-19H,3-6H2,(H,32,35)(H,33,36)(H,34,37).

What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide?

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide has a molecular weight of 619.68 g/mol, XLogP of 6.36, 9 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-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide is sourced from PubChem (CID 134418577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).