3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide

C14H12BrFN2O — CID 107118102

IUPAC3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccccc2Br)c1F
InChIInChI=1S/C14H12BrFN2O/c15-11-6-1-2-7-12(11)19-8-9-4-3-5-10(13(9)16)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyOQBWEVYGIJVQGR-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.45
Rot. Bonds4

About 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide

3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide (PubChem CID 107118102) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
PubChem CID107118102
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccccc2Br)c1F
InChIInChI=1S/C14H12BrFN2O/c15-11-6-1-2-7-12(11)19-8-9-4-3-5-10(13(9)16)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyOQBWEVYGIJVQGR-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'}

Analyze 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
3-[(2,3-dimethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118135
3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118238
3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
CID 62893374
3-[(2-bromophenoxy)methyl]-2-fluoroaniline
CID 107347891
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 107118184
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
3-[(3-ethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118138
2-(2-bromophenoxy)benzenecarboximidamide
CID 28601496
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide?
The IUPAC name of 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide (CID 107118102) is 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide?
The canonical SMILES for 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2ccccc2Br)c1F.
What is the InChIKey of 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide?
The InChIKey is OQBWEVYGIJVQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-11-6-1-2-7-12(11)19-8-9-4-3-5-10(13(9)16)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide?
3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide 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 3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 107118102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).