3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide

C16H16N2O3 — CID 5406605

IUPAC3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccc(C)cc1
InChIInChI=1S/C16H16N2O3/c1-10-3-5-12(6-4-10)11(2)17-18-16(21)13-7-14(19)9-15(20)8-13/h3-9,19-20H,1-2H3,(H,18,21)/b17-11-
InChIKeyRNBUPWLQOYSOFH-BOPFTXTBSA-N
MW284.32 g/mol
LogP2.56
Rot. Bonds3

About 3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide

3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide (PubChem CID 5406605) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
PubChem CID5406605
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccc(C)cc1
InChIInChI=1S/C16H16N2O3/c1-10-3-5-12(6-4-10)11(2)17-18-16(21)13-7-14(19)9-15(20)8-13/h3-9,19-20H,1-2H3,(H,18,21)/b17-11-
InChIKeyRNBUPWLQOYSOFH-BOPFTXTBSA-N
XLogP2.56
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.56
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'}

Analyze 3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide 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

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135625926
3-hydroxybenzoic acid;N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 139196017
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 45100248
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
CID 6089848
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide (CID 5406605) is 3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccc(C)cc1.
What is the InChIKey of 3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
The InChIKey is RNBUPWLQOYSOFH-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-3-5-12(6-4-10)11(2)17-18-16(21)13-7-14(19)9-15(20)8-13/h3-9,19-20H,1-2H3,(H,18,21)/b17-11-.
What are the key properties of 3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide has a molecular weight of 284.32 g/mol, XLogP of 2.56, 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)-1-(4-methylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5406605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).