2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide

C23H21NO3 — CID 155814989

IUPAC2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide
SMILESO=C(Cc1ccc(CCC(=O)c2ccccc2O)cc1)Nc1ccccc1
InChIInChI=1S/C23H21NO3/c25-21-9-5-4-8-20(21)22(26)15-14-17-10-12-18(13-11-17)16-23(27)24-19-6-2-1-3-7-19/h1-13,25H,14-16H2,(H,24,27)
InChIKeyQYERBPQPIVRJAF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.39
Rot. Bonds7

About 2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide

2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide (PubChem CID 155814989) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide
PubChem CID155814989
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide
SMILESO=C(Cc1ccc(CCC(=O)c2ccccc2O)cc1)Nc1ccccc1
InChIInChI=1S/C23H21NO3/c25-21-9-5-4-8-20(21)22(26)15-14-17-10-12-18(13-11-17)16-23(27)24-19-6-2-1-3-7-19/h1-13,25H,14-16H2,(H,24,27)
InChIKeyQYERBPQPIVRJAF-UHFFFAOYSA-N
XLogP4.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide?
The IUPAC name of 2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide (CID 155814989) is 2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide is O=C(Cc1ccc(CCC(=O)c2ccccc2O)cc1)Nc1ccccc1.
What is the InChIKey of 2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide?
The InChIKey is QYERBPQPIVRJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-21-9-5-4-8-20(21)22(26)15-14-17-10-12-18(13-11-17)16-23(27)24-19-6-2-1-3-7-19/h1-13,25H,14-16H2,(H,24,27).
What are the key properties of 2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide?
2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide has a molecular weight of 359.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide is sourced from PubChem (CID 155814989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).