9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C15H16BrFN2O2 — CID 79697955

IUPAC9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(Cc2cc(F)cc(Br)c2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C15H16BrFN2O2/c16-11-5-10(6-12(17)7-11)8-19-9-13(20)18-15(14(19)21)3-1-2-4-15/h5-7H,1-4,8-9H2,(H,18,20)
InChIKeyPBDTYZHXCAEFJA-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.36
Rot. Bonds2

About 9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 79697955) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID79697955
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(Cc2cc(F)cc(Br)c2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C15H16BrFN2O2/c16-11-5-10(6-12(17)7-11)8-19-9-13(20)18-15(14(19)21)3-1-2-4-15/h5-7H,1-4,8-9H2,(H,18,20)
InChIKeyPBDTYZHXCAEFJA-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 79697955) is 9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is O=C1CN(Cc2cc(F)cc(Br)c2)C(=O)C2(CCCC2)N1.
What is the InChIKey of 9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is PBDTYZHXCAEFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c16-11-5-10(6-12(17)7-11)8-19-9-13(20)18-15(14(19)21)3-1-2-4-15/h5-7H,1-4,8-9H2,(H,18,20).
What are the key properties of 9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 355.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 79697955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).