4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide

C13H10ClFN2O — CID 11521818

IUPAC4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H10ClFN2O/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,(H3,16,17)
InChIKeyUNVJLXJBGNBAJZ-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.56
Rot. Bonds3

About 4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide

4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide (PubChem CID 11521818) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide
PubChem CID11521818
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H10ClFN2O/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,(H3,16,17)
InChIKeyUNVJLXJBGNBAJZ-UHFFFAOYSA-N
XLogP3.56
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide?
The IUPAC name of 4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide (CID 11521818) is 4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide?
The canonical SMILES for 4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide?
The InChIKey is UNVJLXJBGNBAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,(H3,16,17).
What are the key properties of 4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide?
4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide has a molecular weight of 264.69 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 11521818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).