3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide

C16H16N2O — CID 5394581

IUPAC3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O/c1-12-5-3-7-14(9-12)11-17-18-16(19)15-8-4-6-13(2)10-15/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKeyIMXHWSPIYCYUJM-BOPFTXTBSA-N
MW252.32 g/mol
LogP3.07
Rot. Bonds3

About 3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide

3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide (PubChem CID 5394581) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
PubChem CID5394581
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O/c1-12-5-3-7-14(9-12)11-17-18-16(19)15-8-4-6-13(2)10-15/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKeyIMXHWSPIYCYUJM-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

3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
N-[(Z)-furan-3-ylmethylideneamino]-3-methylbenzamide
CID 6231503

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide (CID 5394581) is 3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide is Cc1cccc(/C=N\NC(=O)c2cccc(C)c2)c1.
What is the InChIKey of 3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is IMXHWSPIYCYUJM-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-5-3-7-14(9-12)11-17-18-16(19)15-8-4-6-13(2)10-15/h3-11H,1-2H3,(H,18,19)/b17-11-.
What are the key properties of 3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
3-methyl-N-[(Z)-(3-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 3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5394581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).