3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide

C15H14BrFN2O — CID 82824732

IUPAC3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)cc(COCc2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrFN2O/c16-13-3-1-2-10(5-13)8-20-9-11-4-12(15(18)19)7-14(17)6-11/h1-7H,8-9H2,(H3,18,19)
InChIKeyJRKNEHDVZASLTG-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.59
Rot. Bonds5

About 3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide

3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide (PubChem CID 82824732) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
PubChem CID82824732
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)cc(COCc2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrFN2O/c16-13-3-1-2-10(5-13)8-20-9-11-4-12(15(18)19)7-14(17)6-11/h1-7H,8-9H2,(H3,18,19)
InChIKeyJRKNEHDVZASLTG-UHFFFAOYSA-N
XLogP3.59
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.59
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

3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253913
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398
3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 82253918
6-[(3-bromophenyl)methoxy]pyridine-3-carboximidamide
CID 82824834
3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide
CID 106202137
3,5-dibromo-4-[(3-carbamimidoylphenyl)methoxy]benzenecarboximidamide
CID 73353685
5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide
CID 82824608
2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide
CID 79706034
2-[(3-bromophenyl)methoxymethyl]-3,3,3-trifluoropropanimidamide
CID 103371088
3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide
CID 54966719
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide?
The IUPAC name of 3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide (CID 82824732) is 3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)cc(COCc2cccc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide?
The InChIKey is JRKNEHDVZASLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-13-3-1-2-10(5-13)8-20-9-11-4-12(15(18)19)7-14(17)6-11/h1-7H,8-9H2,(H3,18,19).
What are the key properties of 3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide?
3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide has a molecular weight of 337.19 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 82824732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).