(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone

C16H20BrFN2O — CID 102849604

IUPAC(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1ccc(Br)c(F)c1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H20BrFN2O/c17-13-4-3-12(9-14(13)18)15(21)20-8-2-6-16(11-20)5-1-7-19-10-16/h3-4,9,19H,1-2,5-8,10-11H2
InChIKeyUTWOKBIGZWGYIP-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.19
Rot. Bonds1

About (4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone

(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 102849604) has the molecular formula C16H20BrFN2O and a molecular weight of 355.25 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID102849604
Molecular FormulaC16H20BrFN2O
Molecular Weight355.25 g/mol
Exact Mass354.07
IUPAC Name(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1ccc(Br)c(F)c1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H20BrFN2O/c17-13-4-3-12(9-14(13)18)15(21)20-8-2-6-16(11-20)5-1-7-19-10-16/h3-4,9,19H,1-2,5-8,10-11H2
InChIKeyUTWOKBIGZWGYIP-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849851
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
CID 102849889
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
(2-bromo-4-methylphenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849898
2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone
CID 141337050
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
(4-bromo-3-fluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282660
1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone
CID 119063833
(3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 107520321

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone (CID 102849604) is (4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone is O=C(c1ccc(Br)c(F)c1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is UTWOKBIGZWGYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O/c17-13-4-3-12(9-14(13)18)15(21)20-8-2-6-16(11-20)5-1-7-19-10-16/h3-4,9,19H,1-2,5-8,10-11H2.
What are the key properties of (4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 355.25 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 102849604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).