3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide

C14H13NO3 — CID 28739062

IUPAC3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C14H13NO3/c1-15(11-5-7-12(16)8-6-11)14(18)10-3-2-4-13(17)9-10/h2-9,16-17H,1H3
InChIKeyHAFRTUKGRLXIFU-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.37
Rot. Bonds2

About 3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide

3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide (PubChem CID 28739062) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
PubChem CID28739062
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C14H13NO3/c1-15(11-5-7-12(16)8-6-11)14(18)10-3-2-4-13(17)9-10/h2-9,16-17H,1H3
InChIKeyHAFRTUKGRLXIFU-UHFFFAOYSA-N
XLogP2.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739345
N-(4-hydroxyphenyl)-3-iodo-N-methylbenzamide
CID 28887982
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546
3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide
CID 104632622
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
2,6-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739175
3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735708
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
CID 60830444

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide (CID 28739062) is 3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1cccc(O)c1)c1ccc(O)cc1.
What is the InChIKey of 3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is HAFRTUKGRLXIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-15(11-5-7-12(16)8-6-11)14(18)10-3-2-4-13(17)9-10/h2-9,16-17H,1H3.
What are the key properties of 3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide?
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 243.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 28739062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).