N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide

C16H17BrN2O2 — CID 112788534

IUPACN-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C16H17BrN2O2/c1-2-18(10-13-6-4-3-5-7-13)16(21)12-19-11-14(17)8-9-15(19)20/h3-9,11H,2,10,12H2,1H3
InChIKeyQCDKCIHAYLKEOF-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.66
Rot. Bonds5

About N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide

N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide (PubChem CID 112788534) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
PubChem CID112788534
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C16H17BrN2O2/c1-2-18(10-13-6-4-3-5-7-13)16(21)12-19-11-14(17)8-9-15(19)20/h3-9,11H,2,10,12H2,1H3
InChIKeyQCDKCIHAYLKEOF-UHFFFAOYSA-N
XLogP2.66
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide (CID 112788534) is N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide?
The InChIKey is QCDKCIHAYLKEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-2-18(10-13-6-4-3-5-7-13)16(21)12-19-11-14(17)8-9-15(19)20/h3-9,11H,2,10,12H2,1H3.
What are the key properties of N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide?
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide has a molecular weight of 349.23 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide is sourced from PubChem (CID 112788534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).