2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione

C16H19BrN2O2 — CID 24795432

IUPAC2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCCCC12CC(=O)N(Nc1ccc(Br)cc1)C2=O
InChIInChI=1S/C16H19BrN2O2/c1-11-4-2-3-9-16(11)10-14(20)19(15(16)21)18-13-7-5-12(17)6-8-13/h5-8,11,18H,2-4,9-10H2,1H3
InChIKeyPTOOQKSRXYJIGU-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.73
Rot. Bonds2

About 2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione

2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 24795432) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
PubChem CID24795432
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCCCC12CC(=O)N(Nc1ccc(Br)cc1)C2=O
InChIInChI=1S/C16H19BrN2O2/c1-11-4-2-3-9-16(11)10-14(20)19(15(16)21)18-13-7-5-12(17)6-8-13/h5-8,11,18H,2-4,9-10H2,1H3
InChIKeyPTOOQKSRXYJIGU-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione (CID 24795432) is 2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione is CC1CCCCC12CC(=O)N(Nc1ccc(Br)cc1)C2=O.
What is the InChIKey of 2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is PTOOQKSRXYJIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11-4-2-3-9-16(11)10-14(20)19(15(16)21)18-13-7-5-12(17)6-8-13/h5-8,11,18H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 351.24 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 24795432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).