2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide

C14H12BrFN2O — CID 79706034

IUPAC2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrFN2O/c15-10-5-9(6-11(16)7-10)8-19-13-4-2-1-3-12(13)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyHPOGCRIOKYTCDI-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.45
Rot. Bonds4

About 2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide

2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 79706034) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide
PubChem CID79706034
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrFN2O/c15-10-5-9(6-11(16)7-10)8-19-13-4-2-1-3-12(13)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyHPOGCRIOKYTCDI-UHFFFAOYSA-N
XLogP3.45
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.45
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-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarbothioamide
CID 83145817
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956179
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide (CID 79706034) is 2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1OCc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is HPOGCRIOKYTCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-10-5-9(6-11(16)7-10)8-19-13-4-2-1-3-12(13)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide?
2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 323.17 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 79706034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).