2,5-dihydroxy-N-methyl-N-phenylbenzamide

C14H13NO3 — CID 113347039

IUPAC2,5-dihydroxy-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C14H13NO3/c1-15(10-5-3-2-4-6-10)14(18)12-9-11(16)7-8-13(12)17/h2-9,16-17H,1H3
InChIKeyRUPBSGPMTHZNNU-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.37
Rot. Bonds2

About 2,5-dihydroxy-N-methyl-N-phenylbenzamide

2,5-dihydroxy-N-methyl-N-phenylbenzamide (PubChem CID 113347039) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2,5-dihydroxy-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-methyl-N-phenylbenzamide
PubChem CID113347039
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2,5-dihydroxy-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C14H13NO3/c1-15(10-5-3-2-4-6-10)14(18)12-9-11(16)7-8-13(12)17/h2-9,16-17H,1H3
InChIKeyRUPBSGPMTHZNNU-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': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2,5-dihydroxy-N-methyl-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dihydroxy-N-methyl-N-(3-methylphenyl)benzamide
CID 103892363
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144
6-hydroxy-N-methyl-2-oxo-N-phenyl-1H-quinoline-4-carboxamide
CID 67821737
2-[(2,5-dihydroxybenzoyl)-methylamino]propanoic acid
CID 107721641
N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
CID 107721972
N,2-dimethyl-N-phenylbenzamide
CID 5222383
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
2,5-dihydroxybenzoic acid;methanol
CID 174970806
N-cyclopropyl-2,5-dihydroxy-N-methylbenzamide
CID 107722324
2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
CID 107722395
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-methyl-N-phenylbenzamide?
The IUPAC name of 2,5-dihydroxy-N-methyl-N-phenylbenzamide (CID 113347039) is 2,5-dihydroxy-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 2,5-dihydroxy-N-methyl-N-phenylbenzamide?
The canonical SMILES for 2,5-dihydroxy-N-methyl-N-phenylbenzamide is CN(C(=O)c1cc(O)ccc1O)c1ccccc1.
What is the InChIKey of 2,5-dihydroxy-N-methyl-N-phenylbenzamide?
The InChIKey is RUPBSGPMTHZNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-15(10-5-3-2-4-6-10)14(18)12-9-11(16)7-8-13(12)17/h2-9,16-17H,1H3.
What are the key properties of 2,5-dihydroxy-N-methyl-N-phenylbenzamide?
2,5-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 2,5-dihydroxy-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 113347039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).