3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C23H26BrF2N3O — CID 24897253

About 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24897253) has the molecular formula C23H26BrF2N3O and a molecular weight of 478.38 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

• Compound Name: 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
• PubChem CID: 24897253
• Molecular Formula: C23H26BrF2N3O
• Molecular Weight: 478.38 g/mol
• Exact Mass: 477.12
• IUPAC Name: 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
• SMILES: CC(C)N1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(Br)cc1
• InChI: InChI=1S/C23H26BrF2N3O/c1-15(2)29-14-23(21(29)16-3-5-17(24)6-4-16)7-9-28(10-8-23)22(30)27-20-12-18(25)11-19(26)13-20/h3-6,11-13,15,21H,7-10,14H2,1-2H3,(H,27,30)
• InChIKey: DGINYVVOHWEZFN-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.38
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The IUPAC name of 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24897253) is 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

What is the SMILES notation for 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The canonical SMILES for 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)N1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(Br)cc1.

What is the InChIKey of 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The InChIKey is DGINYVVOHWEZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrF2N3O/c1-15(2)29-14-23(21(29)16-3-5-17(24)6-4-16)7-9-28(10-8-23)22(30)27-20-12-18(25)11-19(26)13-20/h3-6,11-13,15,21H,7-10,14H2,1-2H3,(H,27,30).

What are the key properties of 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 478.38 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24897253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).