4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol

C15H16N2O4 — CID 139076899

IUPAC4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
SMILESCO.O=C(N/N=C/c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O3.CH4O/c17-12-5-1-10(2-6-12)9-15-16-14(19)11-3-7-13(18)8-4-11;1-2/h1-9,17-18H,(H,16,19);2H,1H3/b15-9+;
InChIKeyQELAXICPCVGWBW-NSPIFIKESA-N
MW288.30 g/mol
LogP1.47
Rot. Bonds3

About 4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol

4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol (PubChem CID 139076899) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
PubChem CID139076899
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
SMILESCO.O=C(N/N=C/c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O3.CH4O/c17-12-5-1-10(2-6-12)9-15-16-14(19)11-3-7-13(18)8-4-11;1-2/h1-9,17-18H,(H,16,19);2H,1H3/b15-9+;
InChIKeyQELAXICPCVGWBW-NSPIFIKESA-N
XLogP1.47
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 4054579
4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide
CID 110509442
N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 139068504
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol?
The IUPAC name of 4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol (CID 139076899) is 4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol.
What is the SMILES notation for 4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol?
The canonical SMILES for 4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol is CO.O=C(N/N=C/c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol?
The InChIKey is QELAXICPCVGWBW-NSPIFIKESA-N. The full InChI is InChI=1S/C14H12N2O3.CH4O/c17-12-5-1-10(2-6-12)9-15-16-14(19)11-3-7-13(18)8-4-11;1-2/h1-9,17-18H,(H,16,19);2H,1H3/b15-9+;.
What are the key properties of 4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol?
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol has a molecular weight of 288.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol is sourced from PubChem (CID 139076899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).