[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate

C16H13NO3 — CID 6537974

IUPAC[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate
SMILESC/C(=N/OC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H13NO3/c1-12(15(18)13-8-4-2-5-9-13)17-20-16(19)14-10-6-3-7-11-14/h2-11H,1H3/b17-12-
InChIKeyZNZDJSGUWLGTLA-ATVHPVEESA-N
MW267.28 g/mol
LogP3.10
Rot. Bonds4

About [(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate

[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate (PubChem CID 6537974) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is [(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate.

Molecular Properties

Compound Name[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate
PubChem CID6537974
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate
SMILESC/C(=N/OC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H13NO3/c1-12(15(18)13-8-4-2-5-9-13)17-20-16(19)14-10-6-3-7-11-14/h2-11H,1H3/b17-12-
InChIKeyZNZDJSGUWLGTLA-ATVHPVEESA-N
XLogP3.10
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

[[2-oxo-2-[(1-oxo-1-phenylpropan-2-ylidene)amino]oxyethylidene]amino] benzoate
CID 123788618
[(Z)-[1-[4-(4-nitrophenyl)phenyl]-1-oxopropan-2-ylidene]amino] benzoate
CID 118054189
[(E)-[1-(furan-2-yl)-1-oxopropan-2-ylidene]amino] benzoate
CID 6160023
[(1-oxo-1-phenylpropan-2-ylidene)amino] propanoate
CID 58599131
[(E)-[1-[7-[(2E)-2-benzoyloxyiminopropanoyl]-9,9-dimethylfluoren-2-yl]-1-oxopropan-2-ylidene]amino] benzoate
CID 122485408
[(1-ethoxy-1-oxopropan-2-ylidene)amino] benzoate
CID 131876396
[(Z)-[acetamido(phenyl)methylidene]amino] benzoate
CID 135525655
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
N-(1-oxo-1-phenylpropan-2-ylidene)benzamide
CID 23255289
[(E)-(1-oxo-1-phenyloctan-2-ylidene)amino] benzoate
CID 164704501
[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate?
The IUPAC name of [(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate (CID 6537974) is [(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate.
What is the SMILES notation for [(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate?
The canonical SMILES for [(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate is C/C(=N/OC(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of [(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate?
The InChIKey is ZNZDJSGUWLGTLA-ATVHPVEESA-N. The full InChI is InChI=1S/C16H13NO3/c1-12(15(18)13-8-4-2-5-9-13)17-20-16(19)14-10-6-3-7-11-14/h2-11H,1H3/b17-12-.
What are the key properties of [(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate?
[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate has a molecular weight of 267.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate is sourced from PubChem (CID 6537974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).