2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide

C15H14BrFN2O2 — CID 107536673

IUPAC2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(C)cc2OC)c(F)c1Br
InChIInChI=1S/C15H14BrFN2O2/c1-8-3-5-10(12(7-8)20-2)21-11-6-4-9(15(18)19)13(16)14(11)17/h3-7H,1-2H3,(H3,18,19)
InChIKeyTVBZJBKHVPPKDS-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.98
Rot. Bonds4

About 2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide

2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide (PubChem CID 107536673) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
PubChem CID107536673
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(C)cc2OC)c(F)c1Br
InChIInChI=1S/C15H14BrFN2O2/c1-8-3-5-10(12(7-8)20-2)21-11-6-4-9(15(18)19)13(16)14(11)17/h3-7H,1-2H3,(H3,18,19)
InChIKeyTVBZJBKHVPPKDS-UHFFFAOYSA-N
XLogP3.98
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 107536667
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 114904752
4-methoxy-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 81299836
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-bromo-4-(4-bromophenoxy)-3-fluorobenzenecarboximidamide
CID 107536654
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
CID 107536662
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide
CID 107536748

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide (CID 107536673) is 2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(C)cc2OC)c(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The InChIKey is TVBZJBKHVPPKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-8-3-5-10(12(7-8)20-2)21-11-6-4-9(15(18)19)13(16)14(11)17/h3-7H,1-2H3,(H3,18,19).
What are the key properties of 2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide has a molecular weight of 353.19 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 107536673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).