4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide

C23H21N3O3 — CID 26871428

IUPAC4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O3/c1-16(25-26-23(29)19-9-13-21(27)14-10-19)18-7-11-20(12-8-18)24-22(28)15-17-5-3-2-4-6-17/h2-14,27H,15H2,1H3,(H,24,28)(H,26,29)/b25-16-
InChIKeyYDGANWJURHRYJB-XYGWBWBKSA-N
MW387.44 g/mol
LogP3.73
Rot. Bonds6

About 4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide

4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide (PubChem CID 26871428) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
PubChem CID26871428
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O3/c1-16(25-26-23(29)19-9-13-21(27)14-10-19)18-7-11-20(12-8-18)24-22(28)15-17-5-3-2-4-6-17/h2-14,27H,15H2,1H3,(H,24,28)(H,26,29)/b25-16-
InChIKeyYDGANWJURHRYJB-XYGWBWBKSA-N
XLogP3.73
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-methoxy-N-[1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 24818435
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
2,4-dimethoxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 26871625
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
2,2,2-trifluoro-N-[4-[(E)-N-[[2-(4-hydroxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 17337912
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-(4-hydroxyphenyl)-2-(4-phenylphenyl)acetamide
CID 71422853
2-(4-fluorophenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135472799
4-hydroxy-N-(2-phenylacetyl)benzamide
CID 57255220
N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide
CID 135607011

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide (CID 26871428) is 4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The InChIKey is YDGANWJURHRYJB-XYGWBWBKSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16(25-26-23(29)19-9-13-21(27)14-10-19)18-7-11-20(12-8-18)24-22(28)15-17-5-3-2-4-6-17/h2-14,27H,15H2,1H3,(H,24,28)(H,26,29)/b25-16-.
What are the key properties of 4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 26871428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).