2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide

C23H21NO3 — CID 4047797

IUPAC2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)cc1O
InChIInChI=1S/C23H21NO3/c1-15-11-12-20(14-21(15)25)24-23(27)16(2)18-9-6-10-19(13-18)22(26)17-7-4-3-5-8-17/h3-14,16,25H,1-2H3,(H,24,27)
InChIKeyMRJIUIZNGBJTTC-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.67
Rot. Bonds5

About 2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide

2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide (PubChem CID 4047797) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide
PubChem CID4047797
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)cc1O
InChIInChI=1S/C23H21NO3/c1-15-11-12-20(14-21(15)25)24-23(27)16(2)18-9-6-10-19(13-18)22(26)17-7-4-3-5-8-17/h3-14,16,25H,1-2H3,(H,24,27)
InChIKeyMRJIUIZNGBJTTC-UHFFFAOYSA-N
XLogP4.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide (CID 4047797) is 2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)cc1O.
What is the InChIKey of 2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide?
The InChIKey is MRJIUIZNGBJTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-15-11-12-20(14-21(15)25)24-23(27)16(2)18-9-6-10-19(13-18)22(26)17-7-4-3-5-8-17/h3-14,16,25H,1-2H3,(H,24,27).
What are the key properties of 2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide?
2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 4047797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).