2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide

C16H16N2O — CID 5405615

IUPAC2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H16N2O/c1-12-7-9-14(10-8-12)11-17-18-16(19)15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKeyWUVAQWJCOFKEOS-BOPFTXTBSA-N
MW252.32 g/mol
LogP3.07
Rot. Bonds3

About 2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide

2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide (PubChem CID 5405615) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
PubChem CID5405615
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H16N2O/c1-12-7-9-14(10-8-12)11-17-18-16(19)15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKeyWUVAQWJCOFKEOS-BOPFTXTBSA-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

2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065
2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19061066
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6109937
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 6901568
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
[4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 75087863
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 135720024
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide
CID 57395656
N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide
CID 19060941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide (CID 5405615) is 2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
The InChIKey is WUVAQWJCOFKEOS-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-7-9-14(10-8-12)11-17-18-16(19)15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,18,19)/b17-11-.
What are the key properties of 2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
2-methyl-N-[(Z)-(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 2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5405615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).