2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide

C14H12BrClN2O2 — CID 81303045

IUPAC2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-19-9-3-4-10(14(17)18)12(7-9)20-13-6-8(15)2-5-11(13)16/h2-7H,1H3,(H3,17,18)
InChIKeyQSJSXGKRSYCNQD-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.19
Rot. Bonds4

About 2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide

2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide (PubChem CID 81303045) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide
PubChem CID81303045
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-19-9-3-4-10(14(17)18)12(7-9)20-13-6-8(15)2-5-11(13)16/h2-7H,1H3,(H3,17,18)
InChIKeyQSJSXGKRSYCNQD-UHFFFAOYSA-N
XLogP4.19
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.19
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-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarbothioamide
CID 81302587
2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303138
2-(2,4-dichlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81302946
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 114904752
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
4-methoxy-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 81299836
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793
4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904864
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
CID 69436393

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide (CID 81303045) is 2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1Oc1cc(Br)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide?
The InChIKey is QSJSXGKRSYCNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-19-9-3-4-10(14(17)18)12(7-9)20-13-6-8(15)2-5-11(13)16/h2-7H,1H3,(H3,17,18).
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide?
2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide has a molecular weight of 355.62 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).