2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide

C23H19Cl5F2N2O2 — CID 122615203

About 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide (PubChem CID 122615203) has the molecular formula C23H19Cl5F2N2O2 and a molecular weight of 570.68 g/mol. Its IUPAC name is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide
• PubChem CID: 122615203
• Molecular Formula: C23H19Cl5F2N2O2
• Molecular Weight: 570.68 g/mol
• Exact Mass: 567.99
• IUPAC Name: 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide
• SMILES: O=C(NC1CCC(F)(F)CC1)c1cc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C23H19Cl5F2N2O2/c24-12-7-11(8-13(25)9-12)18-19(23(18,27)28)21(34)32-15-1-2-17(26)16(10-15)20(33)31-14-3-5-22(29,30)6-4-14/h1-2,7-10,14,18-19H,3-6H2,(H,31,33)(H,32,34)/t18-,19+/m1/s1
• InChIKey: XURYLCWZWBYOSG-MOPGFXCFSA-N
• XLogP: 7.48
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.68
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide?

The IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide (CID 122615203) is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide.

What is the SMILES notation for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide?

The canonical SMILES for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide is O=C(NC1CCC(F)(F)CC1)c1cc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide?

The InChIKey is XURYLCWZWBYOSG-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H19Cl5F2N2O2/c24-12-7-11(8-13(25)9-12)18-19(23(18,27)28)21(34)32-15-1-2-17(26)16(10-15)20(33)31-14-3-5-22(29,30)6-4-14/h1-2,7-10,14,18-19H,3-6H2,(H,31,33)(H,32,34)/t18-,19+/m1/s1.

What are the key properties of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide?

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide has a molecular weight of 570.68 g/mol, XLogP of 7.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide is sourced from PubChem (CID 122615203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).