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

C14H12BrFN2O — CID 81332379

IUPAC2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-2-3-12(14(17)18)13(4-8)19-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H3,17,18)
InChIKeyXODSFUYBCORFOC-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.97
Rot. Bonds3

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

2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide (PubChem CID 81332379) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
PubChem CID81332379
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-2-3-12(14(17)18)13(4-8)19-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H3,17,18)
InChIKeyXODSFUYBCORFOC-UHFFFAOYSA-N
XLogP3.97
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.97
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-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
CID 81332304
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
4-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114904744
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 114904752
2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930240
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
2-(3-bromo-5-fluorophenoxy)-5-methylbenzoic acid
CID 81331429
2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 107658488
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide (CID 81332379) is 2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide?
The InChIKey is XODSFUYBCORFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-2-3-12(14(17)18)13(4-8)19-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H3,17,18).
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide?
2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide has a molecular weight of 323.17 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 81332379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).