amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate

C16H13ClFN3O — CID 89234220

IUPACamino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate
SMILESC=C(/N=C/ON)c1cccc(/N=C/c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H13ClFN3O/c1-11(21-10-22-19)12-4-2-5-13(8-12)20-9-14-15(17)6-3-7-16(14)18/h2-10H,1,19H2/b20-9+,21-10+
InChIKeyFMYXHGQRWFMUQG-VDEHPEQNSA-N
MW317.75 g/mol
LogP4.12
Rot. Bonds5

About amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate

amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate (PubChem CID 89234220) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate.

Molecular Properties

Compound Nameamino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate
PubChem CID89234220
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Nameamino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate
SMILESC=C(/N=C/ON)c1cccc(/N=C/c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H13ClFN3O/c1-11(21-10-22-19)12-4-2-5-13(8-12)20-9-14-15(17)6-3-7-16(14)18/h2-10H,1,19H2/b20-9+,21-10+
InChIKeyFMYXHGQRWFMUQG-VDEHPEQNSA-N
XLogP4.12
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 54.12
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate?
The IUPAC name of amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate (CID 89234220) is amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate.
What is the SMILES notation for amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate?
The canonical SMILES for amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate is C=C(/N=C/ON)c1cccc(/N=C/c2c(F)cccc2Cl)c1.
What is the InChIKey of amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate?
The InChIKey is FMYXHGQRWFMUQG-VDEHPEQNSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c1-11(21-10-22-19)12-4-2-5-13(8-12)20-9-14-15(17)6-3-7-16(14)18/h2-10H,1,19H2/b20-9+,21-10+.
What are the key properties of amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate?
amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate has a molecular weight of 317.75 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate is sourced from PubChem (CID 89234220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).