2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide

C13H8BrCl2FN2O — CID 107658452

IUPAC2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C13H8BrCl2FN2O/c14-8-4-10(16)12(5-9(8)15)20-11-2-1-6(17)3-7(11)13(18)19/h1-5H,(H3,18,19)
InChIKeyRTFKERSZQIGWQP-UHFFFAOYSA-N
MW378.03 g/mol
LogP4.97
Rot. Bonds3

About 2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide

2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide (PubChem CID 107658452) has the molecular formula C13H8BrCl2FN2O and a molecular weight of 378.03 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
PubChem CID107658452
Molecular FormulaC13H8BrCl2FN2O
Molecular Weight378.03 g/mol
Exact Mass375.92
IUPAC Name2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C13H8BrCl2FN2O/c14-8-4-10(16)12(5-9(8)15)20-11-2-1-6(17)3-7(11)13(18)19/h1-5H,(H3,18,19)
InChIKeyRTFKERSZQIGWQP-UHFFFAOYSA-N
XLogP4.97
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.03
LogP ≤ 54.97
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'}

Analyze 2-(4-bromo-2,5-dichlorophenoxy)-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-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 107658488
2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
CID 81332304
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
2-(3-bromophenoxy)-5-fluorobenzenecarboximidamide
CID 63668840
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712610
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 81495763
2-(2-bromophenoxy)benzenecarboximidamide
CID 28601496
5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114893189
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866
5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743256

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide (CID 107658452) is 2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide?
The InChIKey is RTFKERSZQIGWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FN2O/c14-8-4-10(16)12(5-9(8)15)20-11-2-1-6(17)3-7(11)13(18)19/h1-5H,(H3,18,19).
What are the key properties of 2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide?
2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide has a molecular weight of 378.03 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 107658452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).