2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide

C22H20N2O3 — CID 135730522

IUPAC2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide
SMILESO=C(N/N=C(\CCc1ccccc1)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H20N2O3/c25-20-12-6-4-10-17(20)19(15-14-16-8-2-1-3-9-16)23-24-22(27)18-11-5-7-13-21(18)26/h1-13,25-26H,14-15H2,(H,24,27)/b23-19+
InChIKeyRCPLNUUCXQCSGF-FCDQGJHFSA-N
MW360.41 g/mol
LogP3.86
Rot. Bonds6

About 2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide

2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide (PubChem CID 135730522) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide
PubChem CID135730522
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide
SMILESO=C(N/N=C(\CCc1ccccc1)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H20N2O3/c25-20-12-6-4-10-17(20)19(15-14-16-8-2-1-3-9-16)23-24-22(27)18-11-5-7-13-21(18)26/h1-13,25-26H,14-15H2,(H,24,27)/b23-19+
InChIKeyRCPLNUUCXQCSGF-FCDQGJHFSA-N
XLogP3.86
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide
CID 135576103
N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135785092
2-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]phenol;hydrate
CID 137291939
[(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea
CID 135699730
(3R)-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-1,1-dioxothiolane-3-carboxamide
CID 135817879
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]acetamide
CID 135776802
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]acetamide
CID 135776803
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid
CID 57264383
2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
CID 142204388
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide (CID 135730522) is 2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide is O=C(N/N=C(\CCc1ccccc1)c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide?
The InChIKey is RCPLNUUCXQCSGF-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-20-12-6-4-10-17(20)19(15-14-16-8-2-1-3-9-16)23-24-22(27)18-11-5-7-13-21(18)26/h1-13,25-26H,14-15H2,(H,24,27)/b23-19+.
What are the key properties of 2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide?
2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide has a molecular weight of 360.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide is sourced from PubChem (CID 135730522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).