4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide

C16H16N2O — CID 5333148

IUPAC4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2O/c1-12-3-7-14(8-4-12)11-17-18-16(19)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,18,19)/b17-11+
InChIKeyUYSSCFZVENAREB-GZTJUZNOSA-N
MW252.32 g/mol
LogP3.07
Rot. Bonds3

About 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide

4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide (PubChem CID 5333148) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
PubChem CID5333148
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2O/c1-12-3-7-14(8-4-12)11-17-18-16(19)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,18,19)/b17-11+
InChIKeyUYSSCFZVENAREB-GZTJUZNOSA-N
XLogP3.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1(2H)-Phthalazinone
CID 8394
N'-[(E)-(2-chlorophenyl)methylidene]benzohydrazide
CID 6861473
n'-(3-Chlorobenzylidene)benzohydrazide
CID 6861478
N'-[(E)-(4-chlorophenyl)methylidene]benzohydrazide
CID 6861534
N'-[(E)-Phenylmethylidene]benzohydrazide
CID 9561277
N-(benzylideneamino)benzamide
CID 238530
N'-benzylidene-1-naphthohydrazide
CID 9563333
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244
n'-(4-Methylbenzylidene)benzohydrazide
CID 9562978
4-(4-methylbenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811843
2-fluoro-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 6902270
N'-[(2E,3E)-4-(2-fluorophenyl)but-3-en-2-ylidene]benzohydrazide
CID 9557181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide (CID 5333148) is 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide is Cc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The InChIKey is UYSSCFZVENAREB-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-3-7-14(8-4-12)11-17-18-16(19)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,18,19)/b17-11+.
What are the key properties of 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide has a molecular weight of 252.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5333148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).