2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide

C15H15N3O — CID 87421764

IUPAC2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N/NC(=O)c2ccccc2N)c1
InChIInChI=1S/C15H15N3O/c1-11-5-4-6-12(9-11)10-17-18-15(19)13-7-2-3-8-14(13)16/h2-10H,16H2,1H3,(H,18,19)/b17-10+
InChIKeyQHJJQXUVODAERF-LICLKQGHSA-N
MW253.31 g/mol
LogP2.34
Rot. Bonds3

About 2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide

2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide (PubChem CID 87421764) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
PubChem CID87421764
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N/NC(=O)c2ccccc2N)c1
InChIInChI=1S/C15H15N3O/c1-11-5-4-6-12(9-11)10-17-18-15(19)13-7-2-3-8-14(13)16/h2-10H,16H2,1H3,(H,18,19)/b17-10+
InChIKeyQHJJQXUVODAERF-LICLKQGHSA-N
XLogP2.34
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide
CID 67494279
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 110337163
2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370999
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6893777
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
CID 5397551
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide (CID 87421764) is 2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide is Cc1cccc(/C=N/NC(=O)c2ccccc2N)c1.
What is the InChIKey of 2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is QHJJQXUVODAERF-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-5-4-6-12(9-11)10-17-18-15(19)13-7-2-3-8-14(13)16/h2-10H,16H2,1H3,(H,18,19)/b17-10+.
What are the key properties of 2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide has a molecular weight of 253.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 87421764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).