3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C14H14BrFN2O3 — CID 103729099

IUPAC3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H14BrFN2O3/c15-10-5-9(6-11(16)7-10)8-18-12(19)14(17-13(18)20)1-3-21-4-2-14/h5-7H,1-4,8H2,(H,17,20)
InChIKeyUUUWZEQRRSUBBI-UHFFFAOYSA-N
MW357.18 g/mol
LogP2.19
Rot. Bonds2

About 3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 103729099) has the molecular formula C14H14BrFN2O3 and a molecular weight of 357.18 g/mol. Its IUPAC name is 3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID103729099
Molecular FormulaC14H14BrFN2O3
Molecular Weight357.18 g/mol
Exact Mass356.02
IUPAC Name3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H14BrFN2O3/c15-10-5-9(6-11(16)7-10)8-18-12(19)14(17-13(18)20)1-3-21-4-2-14/h5-7H,1-4,8H2,(H,17,20)
InChIKeyUUUWZEQRRSUBBI-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 103729099) is 3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCOCC2)C(=O)N1Cc1cc(F)cc(Br)c1.
What is the InChIKey of 3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is UUUWZEQRRSUBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O3/c15-10-5-9(6-11(16)7-10)8-18-12(19)14(17-13(18)20)1-3-21-4-2-14/h5-7H,1-4,8H2,(H,17,20).
What are the key properties of 3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 357.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 103729099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).