4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide

C16H16N2O2 — CID 6019614

IUPAC4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
SMILESC/C(Cc1ccccc1)=N\NC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-12(11-13-5-3-2-4-6-13)17-18-16(20)14-7-9-15(19)10-8-14/h2-10,19H,11H2,1H3,(H,18,20)/b17-12+
InChIKeyJUCBOXFIERWZJJ-SFQUDFHCSA-N
MW268.32 g/mol
LogP2.74
Rot. Bonds4

About 4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide

4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide (PubChem CID 6019614) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
PubChem CID6019614
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
SMILESC/C(Cc1ccccc1)=N\NC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-12(11-13-5-3-2-4-6-13)17-18-16(20)14-7-9-15(19)10-8-14/h2-10,19H,11H2,1H3,(H,18,20)/b17-12+
InChIKeyJUCBOXFIERWZJJ-SFQUDFHCSA-N
XLogP2.74
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 26871428
4-hydroxy-N-(2-phenylacetyl)benzamide
CID 57255220
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 4307399
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
CID 2834282
N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide
CID 3412755

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide (CID 6019614) is 4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide is C/C(Cc1ccccc1)=N\NC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide?
The InChIKey is JUCBOXFIERWZJJ-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12(11-13-5-3-2-4-6-13)17-18-16(20)14-7-9-15(19)10-8-14/h2-10,19H,11H2,1H3,(H,18,20)/b17-12+.
What are the key properties of 4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide?
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide is sourced from PubChem (CID 6019614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).