1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one

C15H15BrN2O3 — CID 116541213

IUPAC1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one
SMILESCC(=O)c1cc(Br)cc(N)c1OCCn1ccccc1=O
InChIInChI=1S/C15H15BrN2O3/c1-10(19)12-8-11(16)9-13(17)15(12)21-7-6-18-5-3-2-4-14(18)20/h2-5,8-9H,6-7,17H2,1H3
InChIKeyRILLVIRWJOIYQP-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.47
Rot. Bonds5

About 1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one

1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one (PubChem CID 116541213) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one
PubChem CID116541213
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one
SMILESCC(=O)c1cc(Br)cc(N)c1OCCn1ccccc1=O
InChIInChI=1S/C15H15BrN2O3/c1-10(19)12-8-11(16)9-13(17)15(12)21-7-6-18-5-3-2-4-14(18)20/h2-5,8-9H,6-7,17H2,1H3
InChIKeyRILLVIRWJOIYQP-UHFFFAOYSA-N
XLogP2.47
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-amino-5-bromo-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541361
1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one
CID 82897267
1-[3-amino-5-bromo-2-(2-propoxyethoxy)phenyl]ethanone
CID 106449370
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348
1-[2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 107741788
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
CID 82899166
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide
CID 116541385
3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde
CID 82896972
1-[3-amino-5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 114345665
1-[3-amino-5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanone
CID 116541394
1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
CID 82896589

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one (CID 116541213) is 1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one is CC(=O)c1cc(Br)cc(N)c1OCCn1ccccc1=O.
What is the InChIKey of 1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one?
The InChIKey is RILLVIRWJOIYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10(19)12-8-11(16)9-13(17)15(12)21-7-6-18-5-3-2-4-14(18)20/h2-5,8-9H,6-7,17H2,1H3.
What are the key properties of 1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one?
1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one has a molecular weight of 351.20 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 116541213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).