2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide

C10H12BrFN2O — CID 107924396

IUPAC2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\N)c1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-15-5-4-14-10(13)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H2,13,14)
InChIKeyVJXDKVBKTZKJED-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.94
Rot. Bonds4

About 2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide

2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide (PubChem CID 107924396) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
PubChem CID107924396
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\N)c1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-15-5-4-14-10(13)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H2,13,14)
InChIKeyVJXDKVBKTZKJED-UHFFFAOYSA-N
XLogP1.94
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide
CID 63182012
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-hydroxyethyl 2-bromo-5-fluorobenzoate
CID 55537059
butyl 2-bromo-5-fluorobenzoate
CID 112724264
4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 106819902
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
1-[2-(2,4-difluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111118220
2-bromo-N-(3-bromo-4-methoxybutyl)-5-fluorobenzamide
CID 114163364
N-amino-4-bromo-2-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544317
(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate
CID 55404850
2-[[bis(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994352
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide?
The IUPAC name of 2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide (CID 107924396) is 2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide?
The canonical SMILES for 2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide is COCC/N=C(\N)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide?
The InChIKey is VJXDKVBKTZKJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-15-5-4-14-10(13)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H2,13,14).
What are the key properties of 2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide?
2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide has a molecular weight of 275.12 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide is sourced from PubChem (CID 107924396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).