2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide

C23H15Cl5N4O4 — CID 138652653

About 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide (PubChem CID 138652653) has the molecular formula C23H15Cl5N4O4 and a molecular weight of 588.66 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide
• PubChem CID: 138652653
• Molecular Formula: C23H15Cl5N4O4
• Molecular Weight: 588.66 g/mol
• Exact Mass: 585.95
• IUPAC Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide
• SMILES: O=CN(O)c1ccc(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)nc1
• InChI: InChI=1S/C23H15Cl5N4O4/c24-12-5-11(6-13(25)7-12)19-20(23(19,27)28)22(35)30-14-1-3-17(26)16(8-14)21(34)31-18-4-2-15(9-29-18)32(36)10-33/h1-10,19-20,36H,(H,30,35)(H,29,31,34)
• InChIKey: HQBBHSWHIDWBLJ-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 111.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.66
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide?

The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide (CID 138652653) is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide.

What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide?

The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide is O=CN(O)c1ccc(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)nc1.

What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide?

The InChIKey is HQBBHSWHIDWBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl5N4O4/c24-12-5-11(6-13(25)7-12)19-20(23(19,27)28)22(35)30-14-1-3-17(26)16(8-14)21(34)31-18-4-2-15(9-29-18)32(36)10-33/h1-10,19-20,36H,(H,30,35)(H,29,31,34).

What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide?

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide has a molecular weight of 588.66 g/mol, XLogP of 6.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 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-[5-[formyl(hydroxy)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 138652653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).