4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide

C14H12ClFN2O — CID 64855794

IUPAC4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1cc(C)ccc1F
InChIInChI=1S/C14H12ClFN2O/c1-8-2-5-11(16)13(6-8)19-12-7-9(15)3-4-10(12)14(17)18/h2-7H,1H3,(H3,17,18)
InChIKeyQKNOLPMXJRKHAU-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.86
Rot. Bonds3

About 4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide

4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide (PubChem CID 64855794) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
PubChem CID64855794
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1cc(C)ccc1F
InChIInChI=1S/C14H12ClFN2O/c1-8-2-5-11(16)13(6-8)19-12-7-9(15)3-4-10(12)14(17)18/h2-7H,1H3,(H3,17,18)
InChIKeyQKNOLPMXJRKHAU-UHFFFAOYSA-N
XLogP3.86
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.86
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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Related Compounds

4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarbothioamide
CID 64856176
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboximidamide
CID 64855988
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 107658488
2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 55057065
2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide
CID 63093540
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide (CID 64855794) is 4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Oc1cc(C)ccc1F.
What is the InChIKey of 4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide?
The InChIKey is QKNOLPMXJRKHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-2-5-11(16)13(6-8)19-12-7-9(15)3-4-10(12)14(17)18/h2-7H,1H3,(H3,17,18).
What are the key properties of 4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide?
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide has a molecular weight of 278.71 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 64855794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).