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

C21H18N2O2 — CID 135472550

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O
InChIInChI=1S/C21H18N2O2/c1-15(19-9-5-6-10-20(19)24)22-23-21(25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,24H,1H3,(H,23,25)/b22-15+
InChIKeyLRXQVDGZFYPHJU-PXLXIMEGSA-N
MW330.39 g/mol
LogP4.21
Rot. Bonds4

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

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide (PubChem CID 135472550) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide
PubChem CID135472550
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O
InChIInChI=1S/C21H18N2O2/c1-15(19-9-5-6-10-20(19)24)22-23-21(25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,24H,1H3,(H,23,25)/b22-15+
InChIKeyLRXQVDGZFYPHJU-PXLXIMEGSA-N
XLogP4.21
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.21
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
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4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
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Nsc204792
CID 135459102
N'-(1,3-dimethylbutylidene)-3-hydroxy-2-naphthohydrazide
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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
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2-hydroxy-N'-(1-methylbutylidene)benzohydrazide
CID 9664041

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide (CID 135472550) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide is C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
The InChIKey is LRXQVDGZFYPHJU-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-15(19-9-5-6-10-20(19)24)22-23-21(25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,24H,1H3,(H,23,25)/b22-15+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide has a molecular weight of 330.39 g/mol, XLogP of 4.21, 4 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)ethylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 135472550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).