[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate

C15H14N2O2 — CID 5348857

IUPAC[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
SMILESCc1cccc(/C(N)=N/OC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O2/c1-11-6-5-9-13(10-11)14(16)17-19-15(18)12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,17)
InChIKeyFYADWBVHRWZUBC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.47
Rot. Bonds3

About [(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate

[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate (PubChem CID 5348857) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate.

Molecular Properties

Compound Name[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
PubChem CID5348857
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
SMILESCc1cccc(/C(N)=N/OC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O2/c1-11-6-5-9-13(10-11)14(16)17-19-15(18)12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,17)
InChIKeyFYADWBVHRWZUBC-UHFFFAOYSA-N
XLogP2.47
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino-(3-methylphenyl)methylidene]amino] 2-bromobenzoate
CID 2890192
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
[[amino-(3-methylphenyl)methylidene]amino] 2,6-dimethoxybenzoate
CID 2961106
[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
CID 71329912
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
(2E)-2-amino-2-(3-methylbenzoyl)oxyiminoacetic acid
CID 87481243
[(E)-[amino-(3-methylphenyl)methylidene]amino] (2S)-2-phenoxypropanoate
CID 28922582
[[amino-(3-methylphenyl)methylidene]amino] 3-phenylpropanoate
CID 2888204
[[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate
CID 2296835
[[amino(phenyl)methylidene]amino] 2,5-dimethylbenzoate
CID 2952842
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 6297695
[(Z)-[amino(phenyl)methylidene]amino] 3-bromobenzoate
CID 5332729

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate?
The IUPAC name of [(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate (CID 5348857) is [(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate.
What is the SMILES notation for [(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate?
The canonical SMILES for [(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate is Cc1cccc(/C(N)=N/OC(=O)c2ccccc2)c1.
What is the InChIKey of [(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate?
The InChIKey is FYADWBVHRWZUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-6-5-9-13(10-11)14(16)17-19-15(18)12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,17).
What are the key properties of [(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate?
[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate has a molecular weight of 254.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate is sourced from PubChem (CID 5348857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).