2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione

C14H15BrN2O2 — CID 24795436

IUPAC2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Nc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c15-10-3-5-11(6-4-10)16-17-12(18)9-14(13(17)19)7-1-2-8-14/h3-6,16H,1-2,7-9H2
InChIKeyDOFCROFHUXOIFR-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.10
Rot. Bonds2

About 2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione

2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 24795436) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID24795436
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Nc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c15-10-3-5-11(6-4-10)16-17-12(18)9-14(13(17)19)7-1-2-8-14/h3-6,16H,1-2,7-9H2
InChIKeyDOFCROFHUXOIFR-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Bromoanilino)-2-azaspiro[4.5]decane-1,3-dione
CID 24795431
2-(4-Bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
CID 24795432
2-Azaspiro[4.4]nonane-1,3-dione, 2-(phenylamino)-
CID 11368541
1-(4-Bromoanilino)-3,3-dimethylpyrrolidine-2,5-dione
CID 44585353
1-(4-Bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 44585372
1-(4-Bromoanilino)-3-methyl-3-propylpyrrolidine-2,5-dione
CID 44585386
1-(4-Bromoanilino)-3-butyl-3-methylpyrrolidine-2,5-dione
CID 44585390
1-(4-Bromoanilino)-3,3-diethylpyrrolidine-2,5-dione
CID 44585408
2-Anilino-2-azaspiro[4.5]decane-1,3-dione
CID 297104
2-(4-Bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 2796095
2-(2-Amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43437123
2-(3-Amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 79767387

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione (CID 24795436) is 2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1Nc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is DOFCROFHUXOIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-10-3-5-11(6-4-10)16-17-12(18)9-14(13(17)19)7-1-2-8-14/h3-6,16H,1-2,7-9H2.
What are the key properties of 2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione?
2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 323.19 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 24795436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).