2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide

C14H12ClFN2O — CID 107930831

IUPAC2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-2-5-13(10(6-8)14(17)18)19-9-3-4-12(16)11(15)7-9/h2-7H,1H3,(H3,17,18)
InChIKeyDUKYOMZKZZCVTF-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.86
Rot. Bonds3

About 2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide

2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide (PubChem CID 107930831) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
PubChem CID107930831
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-2-5-13(10(6-8)14(17)18)19-9-3-4-12(16)11(15)7-9/h2-7H,1H3,(H3,17,18)
InChIKeyDUKYOMZKZZCVTF-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

2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
CID 107930737
2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 107279626
5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523635
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
CID 107930884
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide (CID 107930831) is 2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide?
The InChIKey is DUKYOMZKZZCVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-2-5-13(10(6-8)14(17)18)19-9-3-4-12(16)11(15)7-9/h2-7H,1H3,(H3,17,18).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide?
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide 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 2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).