3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide

C15H15N3O — CID 110512312

IUPAC3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C15H15N3O/c1-11-5-7-12(8-6-11)10-17-18-15(19)13-3-2-4-14(16)9-13/h2-10H,16H2,1H3,(H,18,19)/b17-10-
InChIKeyQLKBBQVQXXVOIL-YVLHZVERSA-N
MW253.31 g/mol
LogP2.34
Rot. Bonds3

About 3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide

3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide (PubChem CID 110512312) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
PubChem CID110512312
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C15H15N3O/c1-11-5-7-12(8-6-11)10-17-18-15(19)13-3-2-4-14(16)9-13/h2-10H,16H2,1H3,(H,18,19)/b17-10-
InChIKeyQLKBBQVQXXVOIL-YVLHZVERSA-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

3-amino-N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110512172
[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110512271
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110512236
3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110512199
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3-amino-N-[(E)-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methylideneamino]benzamide
CID 137314849
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741
3-amino-N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110512249
3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512153

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide (CID 110512312) is 3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2cccc(N)c2)cc1.
What is the InChIKey of 3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
The InChIKey is QLKBBQVQXXVOIL-YVLHZVERSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-5-7-12(8-6-11)10-17-18-15(19)13-3-2-4-14(16)9-13/h2-10H,16H2,1H3,(H,18,19)/b17-10-.
What are the key properties of 3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
3-amino-N-[(Z)-(4-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 3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110512312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).