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

C9H8ClFN2O2 — CID 7363991

IUPAC[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate
SMILESN/C(=N\OC(=O)CCl)c1ccc(F)cc1
InChIInChI=1S/C9H8ClFN2O2/c10-5-8(14)15-13-9(12)6-1-3-7(11)4-2-6/h1-4H,5H2,(H2,12,13)
InChIKeyOBQGNNNYOWZVNZ-UHFFFAOYSA-N
MW230.63 g/mol
LogP1.23
Rot. Bonds3

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

[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate (PubChem CID 7363991) has the molecular formula C9H8ClFN2O2 and a molecular weight of 230.63 g/mol. Its IUPAC name is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate.

Molecular Properties

Compound Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate
PubChem CID7363991
Molecular FormulaC9H8ClFN2O2
Molecular Weight230.63 g/mol
Exact Mass230.03
IUPAC Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate
SMILESN/C(=N\OC(=O)CCl)c1ccc(F)cc1
InChIInChI=1S/C9H8ClFN2O2/c10-5-8(14)15-13-9(12)6-1-3-7(11)4-2-6/h1-4H,5H2,(H2,12,13)
InChIKeyOBQGNNNYOWZVNZ-UHFFFAOYSA-N
XLogP1.23
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-chloro-2,2-difluoroacetate
CID 19291930
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
CID 19292058
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate
CID 19292023
[[amino(pyrimidin-5-yl)methylidene]amino] 2-chloroacetate
CID 123688515
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoate
CID 19291905
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate
CID 19292035
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 51228335
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-(3-nitropyrazol-1-yl)acetate
CID 19291877
[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2-chloroacetate
CID 88937741
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate
CID 19290228
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19291796
[[amino-(4-chlorophenyl)methylidene]amino] 2-cyclohexylacetate
CID 2910703

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate?
The IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate (CID 7363991) is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate.
What is the SMILES notation for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate?
The canonical SMILES for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate is N/C(=N\OC(=O)CCl)c1ccc(F)cc1.
What is the InChIKey of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate?
The InChIKey is OBQGNNNYOWZVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O2/c10-5-8(14)15-13-9(12)6-1-3-7(11)4-2-6/h1-4H,5H2,(H2,12,13).
What are the key properties of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate?
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate has a molecular weight of 230.63 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate is sourced from PubChem (CID 7363991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).