3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C15H18BrN3O2 — CID 43349700

IUPAC3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNc1cccc(Br)c1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C15H18BrN3O2/c16-11-5-4-6-12(17)10(11)9-19-13(20)15(18-14(19)21)7-2-1-3-8-15/h4-6H,1-3,7-9,17H2,(H,18,21)
InChIKeyFEWYEVXMQGYNCK-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.79
Rot. Bonds2

About 3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 43349700) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID43349700
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNc1cccc(Br)c1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C15H18BrN3O2/c16-11-5-4-6-12(17)10(11)9-19-13(20)15(18-14(19)21)7-2-1-3-8-15/h4-6H,1-3,7-9,17H2,(H,18,21)
InChIKeyFEWYEVXMQGYNCK-UHFFFAOYSA-N
XLogP2.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528049
3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509213
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79232630
2-[(2-amino-6-bromophenyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512369
3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4280918
2-(azocan-1-ylmethyl)-3-bromoaniline
CID 43349679
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
(2-bromophenyl) 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 9439184
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 43349700) is 3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Nc1cccc(Br)c1CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FEWYEVXMQGYNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c16-11-5-4-6-12(17)10(11)9-19-13(20)15(18-14(19)21)7-2-1-3-8-15/h4-6H,1-3,7-9,17H2,(H,18,21).
What are the key properties of 3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 352.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 43349700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).