4-bromo-N-phenacylbenzamide

C15H12BrNO2 — CID 732474

IUPAC4-bromo-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H12BrNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKeyUHMOQHJNKKRHSY-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.06
Rot. Bonds4

About 4-bromo-N-phenacylbenzamide

4-bromo-N-phenacylbenzamide (PubChem CID 732474) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 4-bromo-N-phenacylbenzamide.

Molecular Properties

Compound Name4-bromo-N-phenacylbenzamide
PubChem CID732474
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name4-bromo-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H12BrNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKeyUHMOQHJNKKRHSY-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-phenacylbenzamide?
The IUPAC name of 4-bromo-N-phenacylbenzamide (CID 732474) is 4-bromo-N-phenacylbenzamide.
What is the SMILES notation for 4-bromo-N-phenacylbenzamide?
The canonical SMILES for 4-bromo-N-phenacylbenzamide is O=C(CNC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-phenacylbenzamide?
The InChIKey is UHMOQHJNKKRHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19).
What are the key properties of 4-bromo-N-phenacylbenzamide?
4-bromo-N-phenacylbenzamide has a molecular weight of 318.17 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-phenacylbenzamide is sourced from PubChem (CID 732474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).