3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide

C15H14N2O3 — CID 5407507

IUPAC3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C15H14N2O3/c1-10-3-2-4-11(5-10)9-16-17-15(20)12-6-13(18)8-14(19)7-12/h2-9,18-19H,1H3,(H,17,20)/b16-9-
InChIKeyQXCDBTRUVBFFDM-SXGWCWSVSA-N
MW270.29 g/mol
LogP2.17
Rot. Bonds3

About 3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide

3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide (PubChem CID 5407507) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
PubChem CID5407507
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C15H14N2O3/c1-10-3-2-4-11(5-10)9-16-17-15(20)12-6-13(18)8-14(19)7-12/h2-9,18-19H,1H3,(H,17,20)/b16-9-
InChIKeyQXCDBTRUVBFFDM-SXGWCWSVSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide (CID 5407507) is 3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide is Cc1cccc(/C=N\NC(=O)c2cc(O)cc(O)c2)c1.
What is the InChIKey of 3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is QXCDBTRUVBFFDM-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-3-2-4-11(5-10)9-16-17-15(20)12-6-13(18)8-14(19)7-12/h2-9,18-19H,1H3,(H,17,20)/b16-9-.
What are the key properties of 3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
3,5-dihydroxy-N-[(Z)-(3-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 3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5407507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).