2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide

C22H19NO4 — CID 9495377

IUPAC2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(O)c1
InChIInChI=1S/C22H19NO4/c1-15-7-12-19(20(24)13-15)23-21(25)14-27-18-10-8-17(9-11-18)22(26)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyMQLXTBCPKRADEF-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.95
Rot. Bonds6

About 2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide

2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide (PubChem CID 9495377) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
PubChem CID9495377
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(O)c1
InChIInChI=1S/C22H19NO4/c1-15-7-12-19(20(24)13-15)23-21(25)14-27-18-10-8-17(9-11-18)22(26)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyMQLXTBCPKRADEF-UHFFFAOYSA-N
XLogP3.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide (CID 9495377) is 2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(O)c1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide?
The InChIKey is MQLXTBCPKRADEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-15-7-12-19(20(24)13-15)23-21(25)14-27-18-10-8-17(9-11-18)22(26)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,23,25).
What are the key properties of 2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide?
2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide has a molecular weight of 361.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 9495377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).