2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

C22H19Cl5N4O3 — CID 122622137

About 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide (PubChem CID 122622137) has the molecular formula C22H19Cl5N4O3 and a molecular weight of 564.68 g/mol. Its IUPAC name is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
• PubChem CID: 122622137
• Molecular Formula: C22H19Cl5N4O3
• Molecular Weight: 564.68 g/mol
• Exact Mass: 561.99
• IUPAC Name: 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
• SMILES: O=C(NCCN1CCNC1=O)c1cc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C22H19Cl5N4O3/c23-12-7-11(8-13(24)9-12)17-18(22(17,26)27)20(33)30-14-1-2-16(25)15(10-14)19(32)28-3-5-31-6-4-29-21(31)34/h1-2,7-10,17-18H,3-6H2,(H,28,32)(H,29,34)(H,30,33)/t17-,18+/m1/s1
• InChIKey: WIMYLWIKTBHNPC-MSOLQXFVSA-N
• XLogP: 4.93
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.68
LogP ≤ 5	4.93
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-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?

The IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide (CID 122622137) is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide.

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

The canonical SMILES for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide is O=C(NCCN1CCNC1=O)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-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?

The InChIKey is WIMYLWIKTBHNPC-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H19Cl5N4O3/c23-12-7-11(8-13(24)9-12)17-18(22(17,26)27)20(33)30-14-1-2-16(25)15(10-14)19(32)28-3-5-31-6-4-29-21(31)34/h1-2,7-10,17-18H,3-6H2,(H,28,32)(H,29,34)(H,30,33)/t17-,18+/m1/s1.

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

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide has a molecular weight of 564.68 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 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-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 122622137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).