2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide

C26H29ClN4O3 — CID 55622366

About 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55622366) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide
• PubChem CID: 55622366
• Molecular Formula: C26H29ClN4O3
• Molecular Weight: 481.00 g/mol
• Exact Mass: 480.19
• IUPAC Name: 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide
• SMILES: Cc1nc(C2(NC(=O)CC(NC(=O)c3ccccc3Cl)c3ccccc3)CCCCCC2)no1
• InChI: InChI=1S/C26H29ClN4O3/c1-18-28-25(31-34-18)26(15-9-2-3-10-16-26)30-23(32)17-22(19-11-5-4-6-12-19)29-24(33)20-13-7-8-14-21(20)27/h4-8,11-14,22H,2-3,9-10,15-17H2,1H3,(H,29,33)(H,30,32)
• InChIKey: UHRDGGLZZBPWHZ-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.00
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide?

The IUPAC name of 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 55622366) is 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide.

What is the SMILES notation for 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide?

The canonical SMILES for 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide is Cc1nc(C2(NC(=O)CC(NC(=O)c3ccccc3Cl)c3ccccc3)CCCCCC2)no1.

What is the InChIKey of 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide?

The InChIKey is UHRDGGLZZBPWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-18-28-25(31-34-18)26(15-9-2-3-10-16-26)30-23(32)17-22(19-11-5-4-6-12-19)29-24(33)20-13-7-8-14-21(20)27/h4-8,11-14,22H,2-3,9-10,15-17H2,1H3,(H,29,33)(H,30,32).

What are the key properties of 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide?

2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 481.00 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55622366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).