4-methoxy-N-phenacylbenzamide

C16H15NO3 — CID 796649

IUPAC4-methoxy-N-phenacylbenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-20-14-9-7-13(8-10-14)16(19)17-11-15(18)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyPRRXIGOVBLICCK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.31
Rot. Bonds5

About 4-methoxy-N-phenacylbenzamide

4-methoxy-N-phenacylbenzamide (PubChem CID 796649) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-methoxy-N-phenacylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-phenacylbenzamide
PubChem CID796649
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-methoxy-N-phenacylbenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-20-14-9-7-13(8-10-14)16(19)17-11-15(18)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyPRRXIGOVBLICCK-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-phenacylbenzamide?
The IUPAC name of 4-methoxy-N-phenacylbenzamide (CID 796649) is 4-methoxy-N-phenacylbenzamide.
What is the SMILES notation for 4-methoxy-N-phenacylbenzamide?
The canonical SMILES for 4-methoxy-N-phenacylbenzamide is COc1ccc(C(=O)NCC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-phenacylbenzamide?
The InChIKey is PRRXIGOVBLICCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-14-9-7-13(8-10-14)16(19)17-11-15(18)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of 4-methoxy-N-phenacylbenzamide?
4-methoxy-N-phenacylbenzamide has a molecular weight of 269.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-phenacylbenzamide is sourced from PubChem (CID 796649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).