[(Z)-[acetamido(phenyl)methylidene]amino] benzoate

C16H14N2O3 — CID 135525655

IUPAC[(Z)-[acetamido(phenyl)methylidene]amino] benzoate
SMILESCC(=O)N/C(=N\OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-12(19)17-15(13-8-4-2-5-9-13)18-21-16(20)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18,19)
InChIKeyKBZFRLYYJYGTLG-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.34
Rot. Bonds3

About [(Z)-[acetamido(phenyl)methylidene]amino] benzoate

[(Z)-[acetamido(phenyl)methylidene]amino] benzoate (PubChem CID 135525655) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [(Z)-[acetamido(phenyl)methylidene]amino] benzoate.

Molecular Properties

Compound Name[(Z)-[acetamido(phenyl)methylidene]amino] benzoate
PubChem CID135525655
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[(Z)-[acetamido(phenyl)methylidene]amino] benzoate
SMILESCC(=O)N/C(=N\OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-12(19)17-15(13-8-4-2-5-9-13)18-21-16(20)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18,19)
InChIKeyKBZFRLYYJYGTLG-UHFFFAOYSA-N
XLogP2.34
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium
CID 13104094
[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate
CID 6537974
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[1-(1-methylpyrrol-2-yl)ethylideneamino] benzoate
CID 769612
[(1-ethoxy-1-oxopropan-2-ylidene)amino] benzoate
CID 131876396
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824
[(Z)-[1-(diethylamino)-1,3-dioxobutan-2-ylidene]amino] benzoate
CID 11277720
[(E)-ethylideneamino] benzoate
CID 59571787
(1-oxobutan-2-ylideneamino) benzoate
CID 175932677

Frequently Asked Questions

What is the IUPAC name of [(Z)-[acetamido(phenyl)methylidene]amino] benzoate?
The IUPAC name of [(Z)-[acetamido(phenyl)methylidene]amino] benzoate (CID 135525655) is [(Z)-[acetamido(phenyl)methylidene]amino] benzoate.
What is the SMILES notation for [(Z)-[acetamido(phenyl)methylidene]amino] benzoate?
The canonical SMILES for [(Z)-[acetamido(phenyl)methylidene]amino] benzoate is CC(=O)N/C(=N\OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-[acetamido(phenyl)methylidene]amino] benzoate?
The InChIKey is KBZFRLYYJYGTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-12(19)17-15(13-8-4-2-5-9-13)18-21-16(20)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18,19).
What are the key properties of [(Z)-[acetamido(phenyl)methylidene]amino] benzoate?
[(Z)-[acetamido(phenyl)methylidene]amino] benzoate has a molecular weight of 282.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[acetamido(phenyl)methylidene]amino] benzoate is sourced from PubChem (CID 135525655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).