2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide

C14H12BrFN2O2 — CID 81303138

IUPAC2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1Oc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFN2O2/c1-19-9-3-4-10(14(17)18)13(7-9)20-12-5-2-8(15)6-11(12)16/h2-7H,1H3,(H3,17,18)
InChIKeyQBIQLZDPVLCXAH-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide

2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide (PubChem CID 81303138) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
PubChem CID81303138
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1Oc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFN2O2/c1-19-9-3-4-10(14(17)18)13(7-9)20-12-5-2-8(15)6-11(12)16/h2-7H,1H3,(H3,17,18)
InChIKeyQBIQLZDPVLCXAH-UHFFFAOYSA-N
XLogP3.67
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide
CID 63093540
2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303045
2-(2,4-dichlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81302946
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
4-methoxy-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 81299836
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 114904752
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793
4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
CID 114673658

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide (CID 81303138) is 2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1Oc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide?
The InChIKey is QBIQLZDPVLCXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-19-9-3-4-10(14(17)18)13(7-9)20-12-5-2-8(15)6-11(12)16/h2-7H,1H3,(H3,17,18).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide?
2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide has a molecular weight of 339.16 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).