2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide

C13H9BrF2N2O — CID 81332304

IUPAC2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H9BrF2N2O/c14-7-3-9(16)5-10(4-7)19-12-2-1-8(15)6-11(12)13(17)18/h1-6H,(H3,17,18)
InChIKeyMGRNIAPFMLCQHN-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.80
Rot. Bonds3

About 2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide

2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide (PubChem CID 81332304) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
PubChem CID81332304
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H9BrF2N2O/c14-7-3-9(16)5-10(4-7)19-12-2-1-8(15)6-11(12)13(17)18/h1-6H,(H3,17,18)
InChIKeyMGRNIAPFMLCQHN-UHFFFAOYSA-N
XLogP3.80
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.80
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 2-(3-bromo-5-fluorophenoxy)-5-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

2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
2-(3-bromophenoxy)-5-fluorobenzenecarboximidamide
CID 63668840
2-(3-bromo-5-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 103588737
2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 81332379
5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114893189
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
CID 107658452
2-(3-bromo-5-fluorophenoxy)benzamide
CID 81331712
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
4-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114904744
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
CID 107536662
2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290597

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide (CID 81332304) is 2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide?
The InChIKey is MGRNIAPFMLCQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-7-3-9(16)5-10(4-7)19-12-2-1-8(15)6-11(12)13(17)18/h1-6H,(H3,17,18).
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide?
2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide has a molecular weight of 327.13 g/mol, XLogP of 3.80, 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)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 81332304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).