2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide

C21H18Cl5N3O3 — CID 175123616

About 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide (PubChem CID 175123616) has the molecular formula C21H18Cl5N3O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide
• PubChem CID: 175123616
• Molecular Formula: C21H18Cl5N3O3
• Molecular Weight: 537.66 g/mol
• Exact Mass: 534.98
• IUPAC Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide
• SMILES: O=C(NC1CNCCO1)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C21H18Cl5N3O3/c22-11-5-10(6-12(23)7-11)17-18(21(17,25)26)20(31)28-13-1-2-15(24)14(8-13)19(30)29-16-9-27-3-4-32-16/h1-2,5-8,16-18,27H,3-4,9H2,(H,28,31)(H,29,30)/t16?,17-,18+/m0/s1
• InChIKey: GVVLTVSAOLVYQM-UQJFVLDMSA-N
• XLogP: 4.85
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	3
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-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide?

The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide (CID 175123616) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide.

What is the SMILES notation for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide?

The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide is O=C(NC1CNCCO1)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-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide?

The InChIKey is GVVLTVSAOLVYQM-UQJFVLDMSA-N. The full InChI is InChI=1S/C21H18Cl5N3O3/c22-11-5-10(6-12(23)7-11)17-18(21(17,25)26)20(31)28-13-1-2-15(24)14(8-13)19(30)29-16-9-27-3-4-32-16/h1-2,5-8,16-18,27H,3-4,9H2,(H,28,31)(H,29,30)/t16?,17-,18+/m0/s1.

What are the key properties of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide?

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide has a molecular weight of 537.66 g/mol, XLogP of 4.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-morpholin-2-ylbenzamide is sourced from PubChem (CID 175123616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).