2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide

C13H9BrF2N2O — CID 107536662

IUPAC2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(F)cc2)c(F)c1Br
InChIInChI=1S/C13H9BrF2N2O/c14-11-9(13(17)18)5-6-10(12(11)16)19-8-3-1-7(15)2-4-8/h1-6H,(H3,17,18)
InChIKeyANQKYDYWIBLTIX-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.80
Rot. Bonds3

About 2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide

2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide (PubChem CID 107536662) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
PubChem CID107536662
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(F)cc2)c(F)c1Br
InChIInChI=1S/C13H9BrF2N2O/c14-11-9(13(17)18)5-6-10(12(11)16)19-8-3-1-7(15)2-4-8/h1-6H,(H3,17,18)
InChIKeyANQKYDYWIBLTIX-UHFFFAOYSA-N
XLogP3.80
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.80
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-bromo-4-(4-bromophenoxy)-3-fluorobenzenecarboximidamide
CID 107536654
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 107536667
2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide
CID 107536790
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
CID 107536771
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107536715
2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide
CID 107536735
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide
CID 107536748

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide (CID 107536662) is 2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(F)cc2)c(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide?
The InChIKey is ANQKYDYWIBLTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-11-9(13(17)18)5-6-10(12(11)16)19-8-3-1-7(15)2-4-8/h1-6H,(H3,17,18).
What are the key properties of 2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide?
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide has a molecular weight of 327.13 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 107536662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).