3,4-dihydroxy-N-methyl-N-phenylbenzamide

C14H13NO3 — CID 113199261

IUPAC3,4-dihydroxy-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C14H13NO3/c1-15(11-5-3-2-4-6-11)14(18)10-7-8-12(16)13(17)9-10/h2-9,16-17H,1H3
InChIKeyDUZCVCAPVACWES-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.37
Rot. Bonds2

About 3,4-dihydroxy-N-methyl-N-phenylbenzamide

3,4-dihydroxy-N-methyl-N-phenylbenzamide (PubChem CID 113199261) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3,4-dihydroxy-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-methyl-N-phenylbenzamide
PubChem CID113199261
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3,4-dihydroxy-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C14H13NO3/c1-15(11-5-3-2-4-6-11)14(18)10-7-8-12(16)13(17)9-10/h2-9,16-17H,1H3
InChIKeyDUZCVCAPVACWES-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 107728489
3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
2,5-dihydroxy-N-methyl-N-phenylbenzamide
CID 113347039
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692356
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide
CID 107727847
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-methyl-N-phenylbenzamide?
The IUPAC name of 3,4-dihydroxy-N-methyl-N-phenylbenzamide (CID 113199261) is 3,4-dihydroxy-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3,4-dihydroxy-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3,4-dihydroxy-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(O)c(O)c1)c1ccccc1.
What is the InChIKey of 3,4-dihydroxy-N-methyl-N-phenylbenzamide?
The InChIKey is DUZCVCAPVACWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-15(11-5-3-2-4-6-11)14(18)10-7-8-12(16)13(17)9-10/h2-9,16-17H,1H3.
What are the key properties of 3,4-dihydroxy-N-methyl-N-phenylbenzamide?
3,4-dihydroxy-N-methyl-N-phenylbenzamide 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 3,4-dihydroxy-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 113199261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).