[(E)-[amino(phenyl)methylidene]amino] benzoate

C14H12N2O2 — CID 6149734

IUPAC[(E)-[amino(phenyl)methylidene]amino] benzoate
SMILESN/C(=N/OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c15-13(11-7-3-1-4-8-11)16-18-14(17)12-9-5-2-6-10-12/h1-10H,(H2,15,16)
InChIKeySSYOZOYJXGBBLS-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.16
Rot. Bonds3

About [(E)-[amino(phenyl)methylidene]amino] benzoate

[(E)-[amino(phenyl)methylidene]amino] benzoate (PubChem CID 6149734) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is [(E)-[amino(phenyl)methylidene]amino] benzoate.

Molecular Properties

Compound Name[(E)-[amino(phenyl)methylidene]amino] benzoate
PubChem CID6149734
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name[(E)-[amino(phenyl)methylidene]amino] benzoate
SMILESN/C(=N/OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c15-13(11-7-3-1-4-8-11)16-18-14(17)12-9-5-2-6-10-12/h1-10H,(H2,15,16)
InChIKeySSYOZOYJXGBBLS-UHFFFAOYSA-N
XLogP2.16
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.16
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-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
[(Z)-[amino(phenyl)methylidene]amino] 3-bromobenzoate
CID 5332729
[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857
[(E)-[amino(phenyl)methylidene]amino] 3,5-dimethoxybenzoate
CID 40528949
[[amino(phenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 2213299
[(Z)-[amino-[4-[[5-[4-[(Z)-N'-benzoyloxycarbamimidoyl]anilino]-5-oxopentanoyl]amino]phenyl]methylidene]amino] benzoate
CID 59542877
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740
[(Z)-[amino(phenyl)methylidene]amino] propanoate
CID 12649620
[[amino(phenyl)methylidene]amino] 2,5-dimethylbenzoate
CID 2952842
[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate
CID 6537974
[(Z)-[amino(phenyl)methylidene]amino] 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 19290112

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino(phenyl)methylidene]amino] benzoate?
The IUPAC name of [(E)-[amino(phenyl)methylidene]amino] benzoate (CID 6149734) is [(E)-[amino(phenyl)methylidene]amino] benzoate.
What is the SMILES notation for [(E)-[amino(phenyl)methylidene]amino] benzoate?
The canonical SMILES for [(E)-[amino(phenyl)methylidene]amino] benzoate is N/C(=N/OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-[amino(phenyl)methylidene]amino] benzoate?
The InChIKey is SSYOZOYJXGBBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-13(11-7-3-1-4-8-11)16-18-14(17)12-9-5-2-6-10-12/h1-10H,(H2,15,16).
What are the key properties of [(E)-[amino(phenyl)methylidene]amino] benzoate?
[(E)-[amino(phenyl)methylidene]amino] benzoate has a molecular weight of 240.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino(phenyl)methylidene]amino] benzoate is sourced from PubChem (CID 6149734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).