N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide

C22H19NO3 — CID 837401

IUPACN-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO3/c1-16-7-13-20(14-8-16)26-15-21(24)23-19-11-9-18(10-12-19)22(25)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,23,24)
InChIKeyFRAJIPDZQQHFJX-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.24
Rot. Bonds6

About N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide

N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 837401) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
PubChem CID837401
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO3/c1-16-7-13-20(14-8-16)26-15-21(24)23-19-11-9-18(10-12-19)22(25)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,23,24)
InChIKeyFRAJIPDZQQHFJX-UHFFFAOYSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide (CID 837401) is N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is FRAJIPDZQQHFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-16-7-13-20(14-8-16)26-15-21(24)23-19-11-9-18(10-12-19)22(25)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide?
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 345.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 837401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).