3-phenacylbenzamide

C15H13NO2 — CID 2824055

IUPAC3-phenacylbenzamide
SMILESNC(=O)c1cccc(CC(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO2/c16-15(18)13-8-4-5-11(9-13)10-14(17)12-6-2-1-3-7-12/h1-9H,10H2,(H2,16,18)
InChIKeyDLIMHJASWFYFOX-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.21
Rot. Bonds4

About 3-phenacylbenzamide

3-phenacylbenzamide (PubChem CID 2824055) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-phenacylbenzamide.

Molecular Properties

Compound Name3-phenacylbenzamide
PubChem CID2824055
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-phenacylbenzamide
SMILESNC(=O)c1cccc(CC(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO2/c16-15(18)13-8-4-5-11(9-13)10-14(17)12-6-2-1-3-7-12/h1-9H,10H2,(H2,16,18)
InChIKeyDLIMHJASWFYFOX-UHFFFAOYSA-N
XLogP2.21
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenacylbenzamide?
The IUPAC name of 3-phenacylbenzamide (CID 2824055) is 3-phenacylbenzamide.
What is the SMILES notation for 3-phenacylbenzamide?
The canonical SMILES for 3-phenacylbenzamide is NC(=O)c1cccc(CC(=O)c2ccccc2)c1.
What is the InChIKey of 3-phenacylbenzamide?
The InChIKey is DLIMHJASWFYFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c16-15(18)13-8-4-5-11(9-13)10-14(17)12-6-2-1-3-7-12/h1-9H,10H2,(H2,16,18).
What are the key properties of 3-phenacylbenzamide?
3-phenacylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacylbenzamide is sourced from PubChem (CID 2824055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).