[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone

C26H26F2N2O4 — CID 3800992

About [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone

[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 3800992) has the molecular formula C26H26F2N2O4 and a molecular weight of 468.50 g/mol. Its IUPAC name is [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

• Compound Name: [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
• PubChem CID: 3800992
• Molecular Formula: C26H26F2N2O4
• Molecular Weight: 468.50 g/mol
• Exact Mass: 468.19
• IUPAC Name: [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
• SMILES: COc1cccc2cc(C(=O)N3CCC4(CCN(C(=O)c5c(F)ccc(C)c5F)CC4)C3)oc12
• InChI: InChI=1S/C26H26F2N2O4/c1-16-6-7-18(27)21(22(16)28)25(32)29-11-8-26(9-12-29)10-13-30(15-26)24(31)20-14-17-4-3-5-19(33-2)23(17)34-20/h3-7,14H,8-13,15H2,1-2H3
• InChIKey: KCPXQAFINZQDLS-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 62.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.50
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?

The IUPAC name of [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone (CID 3800992) is [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone.

What is the SMILES notation for [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?

The canonical SMILES for [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone is COc1cccc2cc(C(=O)N3CCC4(CCN(C(=O)c5c(F)ccc(C)c5F)CC4)C3)oc12.

What is the InChIKey of [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?

The InChIKey is KCPXQAFINZQDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O4/c1-16-6-7-18(27)21(22(16)28)25(32)29-11-8-26(9-12-29)10-13-30(15-26)24(31)20-14-17-4-3-5-19(33-2)23(17)34-20/h3-7,14H,8-13,15H2,1-2H3.

What are the key properties of [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?

[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone has a molecular weight of 468.50 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 3800992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).