4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide

C13H8BrClF2N2O — CID 107099791

IUPAC4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Br)cc(F)c2F)c(Cl)c1
InChIInChI=1S/C13H8BrClF2N2O/c14-7-4-9(16)12(17)11(5-7)20-10-2-1-6(13(18)19)3-8(10)15/h1-5H,(H3,18,19)
InChIKeyJRWRGDKHIKSTJR-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.46
Rot. Bonds3

About 4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide

4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide (PubChem CID 107099791) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is 4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
PubChem CID107099791
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC Name4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Br)cc(F)c2F)c(Cl)c1
InChIInChI=1S/C13H8BrClF2N2O/c14-7-4-9(16)12(17)11(5-7)20-10-2-1-6(13(18)19)3-8(10)15/h1-5H,(H3,18,19)
InChIKeyJRWRGDKHIKSTJR-UHFFFAOYSA-N
XLogP4.46
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
CID 114673673
4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
CID 107284677
3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
CID 63086917
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
(1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100154
1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100168
3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 63087416
(1R)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100127
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
2-(5-bromo-2,3-difluorophenoxy)ethanimidamide
CID 107099812
3-chloro-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63087240
2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide
CID 63093540

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide?
The IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide (CID 107099791) is 4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide?
The canonical SMILES for 4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(Br)cc(F)c2F)c(Cl)c1.
What is the InChIKey of 4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide?
The InChIKey is JRWRGDKHIKSTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c14-7-4-9(16)12(17)11(5-7)20-10-2-1-6(13(18)19)3-8(10)15/h1-5H,(H3,18,19).
What are the key properties of 4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide?
4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide has a molecular weight of 361.57 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide is sourced from PubChem (CID 107099791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).