3,4-dihydroxy-N-(2-methylphenyl)benzamide

C14H13NO3 — CID 57150208

IUPAC3,4-dihydroxy-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H13NO3/c1-9-4-2-3-5-11(9)15-14(18)10-6-7-12(16)13(17)8-10/h2-8,16-17H,1H3,(H,15,18)
InChIKeySOHFNHXLQGWGFE-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.66
Rot. Bonds2

About 3,4-dihydroxy-N-(2-methylphenyl)benzamide

3,4-dihydroxy-N-(2-methylphenyl)benzamide (PubChem CID 57150208) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(2-methylphenyl)benzamide
PubChem CID57150208
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3,4-dihydroxy-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H13NO3/c1-9-4-2-3-5-11(9)15-14(18)10-6-7-12(16)13(17)8-10/h2-8,16-17H,1H3,(H,15,18)
InChIKeySOHFNHXLQGWGFE-UHFFFAOYSA-N
XLogP2.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.66
H-Bond Donors ≤ 53
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-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
N-(2-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103955332
N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(2-methylphenyl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(2-methylphenyl)benzamide (CID 57150208) is 3,4-dihydroxy-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(2-methylphenyl)benzamide?
The InChIKey is SOHFNHXLQGWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-4-2-3-5-11(9)15-14(18)10-6-7-12(16)13(17)8-10/h2-8,16-17H,1H3,(H,15,18).
What are the key properties of 3,4-dihydroxy-N-(2-methylphenyl)benzamide?
3,4-dihydroxy-N-(2-methylphenyl)benzamide has a molecular weight of 243.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 57150208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).