N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C23H27BrClN3O — CID 24898115

About N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24898115) has the molecular formula C23H27BrClN3O and a molecular weight of 476.85 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
• PubChem CID: 24898115
• Molecular Formula: C23H27BrClN3O
• Molecular Weight: 476.85 g/mol
• Exact Mass: 475.10
• IUPAC Name: N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
• SMILES: CC(C)N1CC2(CCN(C(=O)Nc3ccc(Br)cc3)CC2)C1c1ccc(Cl)cc1
• InChI: InChI=1S/C23H27BrClN3O/c1-16(2)28-15-23(21(28)17-3-7-19(25)8-4-17)11-13-27(14-12-23)22(29)26-20-9-5-18(24)6-10-20/h3-10,16,21H,11-15H2,1-2H3,(H,26,29)
• InChIKey: PEVMPMDDVNPBBX-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.85
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The IUPAC name of N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24898115) is N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

What is the SMILES notation for N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The canonical SMILES for N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)N1CC2(CCN(C(=O)Nc3ccc(Br)cc3)CC2)C1c1ccc(Cl)cc1.

What is the InChIKey of N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The InChIKey is PEVMPMDDVNPBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrClN3O/c1-16(2)28-15-23(21(28)17-3-7-19(25)8-4-17)11-13-27(14-12-23)22(29)26-20-9-5-18(24)6-10-20/h3-10,16,21H,11-15H2,1-2H3,(H,26,29).

What are the key properties of N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 476.85 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24898115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).