[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate

C10H9FN2O3 — CID 19292023

IUPAC[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate
SMILESCC(=O)C(=O)O/N=C(\N)c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O3/c1-6(14)10(15)16-13-9(12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13)
InChIKeyVCKUYKYGWLMXPP-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.58
Rot. Bonds3

About [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate

[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate (PubChem CID 19292023) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate.

Molecular Properties

Compound Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate
PubChem CID19292023
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate
SMILESCC(=O)C(=O)O/N=C(\N)c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O3/c1-6(14)10(15)16-13-9(12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13)
InChIKeyVCKUYKYGWLMXPP-UHFFFAOYSA-N
XLogP0.58
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate
CID 7363991
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
CID 19291930
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
CID 19292058
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate
CID 19292035
[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
CID 11401281
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19291796
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide
CID 47118215
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 3-(difluoromethoxy)benzoate
CID 19291853
[[amino(pyridin-3-yl)methylidene]amino] 4-fluorobenzoate
CID 2877109
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride
CID 68690299
chloromethane;4-fluorobenzamide
CID 158476805
N-(1-aminoethylideneamino)-4-fluorobenzamide
CID 86065871

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate?
The IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate (CID 19292023) is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate.
What is the SMILES notation for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate?
The canonical SMILES for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate is CC(=O)C(=O)O/N=C(\N)c1ccc(F)cc1.
What is the InChIKey of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate?
The InChIKey is VCKUYKYGWLMXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-6(14)10(15)16-13-9(12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13).
What are the key properties of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate?
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate has a molecular weight of 224.19 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate is sourced from PubChem (CID 19292023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).