3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide

C15H14N2O3 — CID 794492

IUPAC3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide
SMILESCc1ccccc1C=NNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H14N2O3/c1-10-4-2-3-5-12(10)9-16-17-15(20)11-6-7-13(18)14(19)8-11/h2-9,18-19H,1H3,(H,17,20)
InChIKeyXCBZDSBYYACQAJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.17
Rot. Bonds3

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

3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide (PubChem CID 794492) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide
PubChem CID794492
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide
SMILESCc1ccccc1C=NNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H14N2O3/c1-10-4-2-3-5-12(10)9-16-17-15(20)11-6-7-13(18)14(19)8-11/h2-9,18-19H,1H3,(H,17,20)
InChIKeyXCBZDSBYYACQAJ-UHFFFAOYSA-N
XLogP2.17
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135442286
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
4-benzamido-N-[(2-methylphenyl)methylideneamino]benzamide
CID 3285484
N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
CID 764265
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide
CID 90127167
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
3-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylbenzamide
CID 172933707
N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932964

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide (CID 794492) is 3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide is Cc1ccccc1C=NNC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide?
The InChIKey is XCBZDSBYYACQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-4-2-3-5-12(10)9-16-17-15(20)11-6-7-13(18)14(19)8-11/h2-9,18-19H,1H3,(H,17,20).
What are the key properties of 3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide?
3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide has a molecular weight of 270.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 794492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).