(5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

C21H21BrF2N2O3 — CID 3783937

IUPAC(5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCC3(CCN(C(=O)c4ccc(Br)o4)C3)CC2)c1F
InChIInChI=1S/C21H21BrF2N2O3/c1-13-2-3-14(23)17(18(13)24)20(28)25-9-6-21(7-10-25)8-11-26(12-21)19(27)15-4-5-16(22)29-15/h2-5H,6-12H2,1H3
InChIKeyMSEKWOJVXZTAIN-UHFFFAOYSA-N
MW467.31 g/mol
LogP4.40
Rot. Bonds2

About (5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

(5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 3783937) has the molecular formula C21H21BrF2N2O3 and a molecular weight of 467.31 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID3783937
Molecular FormulaC21H21BrF2N2O3
Molecular Weight467.31 g/mol
Exact Mass466.07
IUPAC Name(5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCC3(CCN(C(=O)c4ccc(Br)o4)C3)CC2)c1F
InChIInChI=1S/C21H21BrF2N2O3/c1-13-2-3-14(23)17(18(13)24)20(28)25-9-6-21(7-10-25)8-11-26(12-21)19(27)15-4-5-16(22)29-15/h2-5H,6-12H2,1H3
InChIKeyMSEKWOJVXZTAIN-UHFFFAOYSA-N
XLogP4.40
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone
CID 3672244
[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 3800992
[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone
CID 3796003
(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 82816025
8-(2,6-difluoro-3-methylbenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3320930
1-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-methyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 3795913
8-(2,6-difluoro-3-methylbenzoyl)-N-(1-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3491359
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419
(2,6-difluoro-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 82816459
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 39493722

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 3783937) is (5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is Cc1ccc(F)c(C(=O)N2CCC3(CCN(C(=O)c4ccc(Br)o4)C3)CC2)c1F.
What is the InChIKey of (5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is MSEKWOJVXZTAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrF2N2O3/c1-13-2-3-14(23)17(18(13)24)20(28)25-9-6-21(7-10-25)8-11-26(12-21)19(27)15-4-5-16(22)29-15/h2-5H,6-12H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
(5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 467.31 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 3783937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).