N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide

C22H20N2O2 — CID 135685321

IUPACN-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide
SMILESCC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O
InChIInChI=1S/C22H20N2O2/c1-2-20(19-10-6-7-11-21(19)25)23-24-22(26)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,25H,2H2,1H3,(H,24,26)/b23-20+
InChIKeyXCYMFOPZEQCLKW-BSYVCWPDSA-N
MW344.41 g/mol
LogP4.60
Rot. Bonds5

About N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide

N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide (PubChem CID 135685321) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide
PubChem CID135685321
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide
SMILESCC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O
InChIInChI=1S/C22H20N2O2/c1-2-20(19-10-6-7-11-21(19)25)23-24-22(26)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,25H,2H2,1H3,(H,24,26)/b23-20+
InChIKeyXCYMFOPZEQCLKW-BSYVCWPDSA-N
XLogP4.60
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

Gsk 4716
CID 5331325
(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone
CID 3098837
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4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
Nsc204792
CID 135459102
N'-(1,3-dimethylbutylidene)-3-hydroxy-2-naphthohydrazide
CID 5779530
N'-cycloheptylidene-3-hydroxynaphthalene-2-carbohydrazide
CID 3623129
N'-[(1Z)-1-(3-hydroxyphenyl)ethylidene]biphenyl-4-carbohydrazide
CID 6081739
N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 9684188
Naphthalene-1-carboxylic acid (2-hydroxy-benzylidene)-hydrazide
CID 135400487
N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2,2-diphenylacetohydrazide
CID 135603353
2-hydroxy-N'-(1-methylbutylidene)benzohydrazide
CID 9664041

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide (CID 135685321) is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide is CC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide?
The InChIKey is XCYMFOPZEQCLKW-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-20(19-10-6-7-11-21(19)25)23-24-22(26)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,25H,2H2,1H3,(H,24,26)/b23-20+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide?
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 135685321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).