3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide

C13H11BrN2O2 — CID 47027736

IUPAC3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide
SMILESNC(=O)c1cccc(Cn2cc(Br)ccc2=O)c1
InChIInChI=1S/C13H11BrN2O2/c14-11-4-5-12(17)16(8-11)7-9-2-1-3-10(6-9)13(15)18/h1-6,8H,7H2,(H2,15,18)
InChIKeyOBDMOBMEZPNQKU-UHFFFAOYSA-N
MW307.15 g/mol
LogP1.76
Rot. Bonds3

About 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide

3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide (PubChem CID 47027736) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide
PubChem CID47027736
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide
SMILESNC(=O)c1cccc(Cn2cc(Br)ccc2=O)c1
InChIInChI=1S/C13H11BrN2O2/c14-11-4-5-12(17)16(8-11)7-9-2-1-3-10(6-9)13(15)18/h1-6,8H,7H2,(H2,15,18)
InChIKeyOBDMOBMEZPNQKU-UHFFFAOYSA-N
XLogP1.76
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide (CID 47027736) is 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide is NC(=O)c1cccc(Cn2cc(Br)ccc2=O)c1.
What is the InChIKey of 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide?
The InChIKey is OBDMOBMEZPNQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-11-4-5-12(17)16(8-11)7-9-2-1-3-10(6-9)13(15)18/h1-6,8H,7H2,(H2,15,18).
What are the key properties of 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide?
3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide has a molecular weight of 307.15 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzamide is sourced from PubChem (CID 47027736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).