[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate

C14H10ClFN2O2 — CID 19292058

IUPAC[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
SMILESN/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H10ClFN2O2/c15-11-5-1-10(2-6-11)14(19)20-18-13(17)9-3-7-12(16)8-4-9/h1-8H,(H2,17,18)
InChIKeyRZVITPCXIKWLHJ-UHFFFAOYSA-N
MW292.70 g/mol
LogP2.96
Rot. Bonds3

About [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate

[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate (PubChem CID 19292058) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate.

Molecular Properties

Compound Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
PubChem CID19292058
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
SMILESN/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H10ClFN2O2/c15-11-5-1-10(2-6-11)14(19)20-18-13(17)9-3-7-12(16)8-4-9/h1-8H,(H2,17,18)
InChIKeyRZVITPCXIKWLHJ-UHFFFAOYSA-N
XLogP2.96
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 52.96
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'}

Analyze [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
CID 2869302
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
[[amino-(4-chlorophenyl)methylidene]amino] 4-iodobenzoate
CID 2890265
[1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate
CID 2803461
[[amino-(4-chlorophenyl)methylidene]amino] naphthalene-2-carboxylate
CID 2903183
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate
CID 7363991
[(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate
CID 6183643
[[amino(1H-pyrazol-5-yl)methylidene]amino] 4-chlorobenzoate
CID 2744386
[[amino(pyridin-3-yl)methylidene]amino] 4-fluorobenzoate
CID 2877109
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
CID 19291930
[[amino-[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl]methylidene]amino] 4-chlorobenzoate
CID 2746727

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate?
The IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate (CID 19292058) is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate.
What is the SMILES notation for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate?
The canonical SMILES for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate is N/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate?
The InChIKey is RZVITPCXIKWLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c15-11-5-1-10(2-6-11)14(19)20-18-13(17)9-3-7-12(16)8-4-9/h1-8H,(H2,17,18).
What are the key properties of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate?
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate has a molecular weight of 292.70 g/mol, XLogP of 2.96, 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] 4-chlorobenzoate is sourced from PubChem (CID 19292058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).