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

C14H15BrN2O2 — CID 79767387

IUPAC2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESNc1cc(N2C(=O)CC3(CCCC3)C2=O)ccc1Br
InChIInChI=1S/C14H15BrN2O2/c15-10-4-3-9(7-11(10)16)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2
InChIKeyILMARSMXBWTSCV-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.86
Rot. Bonds1

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

2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 79767387) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID79767387
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESNc1cc(N2C(=O)CC3(CCCC3)C2=O)ccc1Br
InChIInChI=1S/C14H15BrN2O2/c15-10-4-3-9(7-11(10)16)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2
InChIKeyILMARSMXBWTSCV-UHFFFAOYSA-N
XLogP2.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione
CID 24795436
2-(3-Aminophenyl)-2-azaspiro(4.4)nonane-1,3-dione
CID 43381801
N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 39967733
2-(4-Bromo-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385983
2-(4-Bromo-2-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43385984
2-(5-Amino-2-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43437102
2-(3-Amino-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43437106
2-(2-Bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437199
2-(2-Bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43437200
2-(4-Bromo-3-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 65430331
2-(4-Bromo-3-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 65430505
2-(4-Bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 65499734

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 79767387) is 2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione is Nc1cc(N2C(=O)CC3(CCCC3)C2=O)ccc1Br.
What is the InChIKey of 2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is ILMARSMXBWTSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-10-4-3-9(7-11(10)16)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2.
What are the key properties of 2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 323.19 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 79767387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).