4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide

C14H12BrFN2O — CID 114673658

IUPAC4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2F)cc1C
InChIInChI=1S/C14H12BrFN2O/c1-8-6-10(3-4-11(8)14(17)18)19-13-7-9(15)2-5-12(13)16/h2-7H,1H3,(H3,17,18)
InChIKeyJOTVIAYAULIJCH-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.97
Rot. Bonds3

About 4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide

4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide (PubChem CID 114673658) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
PubChem CID114673658
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2F)cc1C
InChIInChI=1S/C14H12BrFN2O/c1-8-6-10(3-4-11(8)14(17)18)19-13-7-9(15)2-5-12(13)16/h2-7H,1H3,(H3,17,18)
InChIKeyJOTVIAYAULIJCH-UHFFFAOYSA-N
XLogP3.97
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.97
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'}

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Related Compounds

2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
4-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114904744
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303138
2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
CID 114677126
4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
CID 114673673
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523806

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide (CID 114673658) is 4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2F)cc1C.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide?
The InChIKey is JOTVIAYAULIJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-6-10(3-4-11(8)14(17)18)19-13-7-9(15)2-5-12(13)16/h2-7H,1H3,(H3,17,18).
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide?
4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide has a molecular weight of 323.17 g/mol, XLogP of 3.97, 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-fluorophenoxy)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 114673658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).