N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide

C15H14N2O2 — CID 138392331

IUPACN-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccccc1CO
InChIInChI=1S/C15H14N2O2/c18-11-13-8-4-5-9-14(13)15(19)17-16-10-12-6-2-1-3-7-12/h1-10,18H,11H2,(H,17,19)/b16-10+
InChIKeyXLDRVUSENRUCHQ-MHWRWJLKSA-N
MW254.29 g/mol
LogP1.94
Rot. Bonds4

About N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide

N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide (PubChem CID 138392331) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide
PubChem CID138392331
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccccc1CO
InChIInChI=1S/C15H14N2O2/c18-11-13-8-4-5-9-14(13)15(19)17-16-10-12-6-2-1-3-7-12/h1-10,18H,11H2,(H,17,19)/b16-10+
InChIKeyXLDRVUSENRUCHQ-MHWRWJLKSA-N
XLogP1.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-benzylideneamino]-2-(hydroxymethyl)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-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
CID 57397723
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide
CID 5404855
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 42991403
N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
[(E)-benzylideneamino]urea
CID 6861419
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924958

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide (CID 138392331) is N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide is O=C(N/N=C/c1ccccc1)c1ccccc1CO.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide?
The InChIKey is XLDRVUSENRUCHQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-11-13-8-4-5-9-14(13)15(19)17-16-10-12-6-2-1-3-7-12/h1-10,18H,11H2,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide?
N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide has a molecular weight of 254.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide is sourced from PubChem (CID 138392331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).