3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide

C21H19NO3 — CID 56933900

IUPAC3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3
InChIKeyOKQDICAWOOJXJZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.04
Rot. Bonds4

About 3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide

3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide (PubChem CID 56933900) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
PubChem CID56933900
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3
InChIKeyOKQDICAWOOJXJZ-UHFFFAOYSA-N
XLogP4.04
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide (CID 56933900) is 3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(O)c1)C(=O)c1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is OKQDICAWOOJXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 56933900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).