N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide

C21H18N2O3 — CID 135683679

IUPACN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1cc(O)ccc1O
InChIInChI=1S/C21H18N2O3/c1-14(19-13-18(24)11-12-20(19)25)22-23-21(26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13,24-25H,1H3,(H,23,26)/b22-14+
InChIKeyDMCKAJRNQWLHNV-HYARGMPZSA-N
MW346.39 g/mol
LogP3.92
Rot. Bonds4

About N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide

N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide (PubChem CID 135683679) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
PubChem CID135683679
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1cc(O)ccc1O
InChIInChI=1S/C21H18N2O3/c1-14(19-13-18(24)11-12-20(19)25)22-23-21(26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13,24-25H,1H3,(H,23,26)/b22-14+
InChIKeyDMCKAJRNQWLHNV-HYARGMPZSA-N
XLogP3.92
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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

N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 136690194
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 135647794
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide
CID 135907364
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide (CID 135683679) is N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide is C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1cc(O)ccc1O.
What is the InChIKey of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
The InChIKey is DMCKAJRNQWLHNV-HYARGMPZSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14(19-13-18(24)11-12-20(19)25)22-23-21(26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13,24-25H,1H3,(H,23,26)/b22-14+.
What are the key properties of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 135683679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).