3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide

C14H13NO4 — CID 107735650

IUPAC3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)cc(O)c1)c1cccc(O)c1
InChIInChI=1S/C14H13NO4/c1-15(10-3-2-4-11(16)7-10)14(19)9-5-12(17)8-13(18)6-9/h2-8,16-18H,1H3
InChIKeyIHJSOVDHOZMVDB-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.08
Rot. Bonds2

About 3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide

3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide (PubChem CID 107735650) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
PubChem CID107735650
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)cc(O)c1)c1cccc(O)c1
InChIInChI=1S/C14H13NO4/c1-15(10-3-2-4-11(16)7-10)14(19)9-5-12(17)8-13(18)6-9/h2-8,16-18H,1H3
InChIKeyIHJSOVDHOZMVDB-UHFFFAOYSA-N
XLogP2.08
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide
CID 107703258
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 107736061
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
N-(3-hydroxyphenyl)-N,2-dimethylpyridine-4-carboxamide
CID 107735739
6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide
CID 114009640
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219
3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735708

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide (CID 107735650) is 3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1cc(O)cc(O)c1)c1cccc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is IHJSOVDHOZMVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-15(10-3-2-4-11(16)7-10)14(19)9-5-12(17)8-13(18)6-9/h2-8,16-18H,1H3.
What are the key properties of 3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 259.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107735650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).