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

C26H26F2N2O4 — CID 3800992

IUPAC[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1cccc2cc(C(=O)N3CCC4(CCN(C(=O)c5c(F)ccc(C)c5F)CC4)C3)oc12
InChIInChI=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
InChIKeyKCPXQAFINZQDLS-UHFFFAOYSA-N
MW468.50 g/mol
LogP4.80
Rot. Bonds3

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 CID3800992
Molecular FormulaC26H26F2N2O4
Molecular Weight468.50 g/mol
Exact Mass468.19
IUPAC Name[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1cccc2cc(C(=O)N3CCC4(CCN(C(=O)c5c(F)ccc(C)c5F)CC4)C3)oc12
InChIInChI=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
InChIKeyKCPXQAFINZQDLS-UHFFFAOYSA-N
XLogP4.80
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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).