4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide

C14H12ClFN2O — CID 43013388

IUPAC4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide
SMILESN/C(=N\OCc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFN2O/c15-12-7-5-10(6-8-12)14(17)18-19-9-11-3-1-2-4-13(11)16/h1-8H,9H2,(H2,17,18)
InChIKeyABLQBWBUWPKXGT-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.32
Rot. Bonds4

About 4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide

4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 43013388) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide
PubChem CID43013388
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide
SMILESN/C(=N\OCc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFN2O/c15-12-7-5-10(6-8-12)14(17)18-19-9-11-3-1-2-4-13(11)16/h1-8H,9H2,(H2,17,18)
InChIKeyABLQBWBUWPKXGT-UHFFFAOYSA-N
XLogP3.32
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide (CID 43013388) is 4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide is N/C(=N\OCc1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is ABLQBWBUWPKXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-12-7-5-10(6-8-12)14(17)18-19-9-11-3-1-2-4-13(11)16/h1-8H,9H2,(H2,17,18).
What are the key properties of 4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide?
4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 278.71 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 43013388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).