2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

C14H11Br2FN2O2 — CID 107536246

IUPAC2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Oc2ccc(/C(N)=N/O)c(Br)c2F)ccc1Br
InChIInChI=1S/C14H11Br2FN2O2/c1-7-6-8(2-4-10(7)15)21-11-5-3-9(14(18)19-20)12(16)13(11)17/h2-6,20H,1H3,(H2,18,19)
InChIKeyLAIKSMGPKAHSOY-UHFFFAOYSA-N
MW418.06 g/mol
LogP4.55
Rot. Bonds3

About 2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107536246) has the molecular formula C14H11Br2FN2O2 and a molecular weight of 418.06 g/mol. Its IUPAC name is 2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107536246
Molecular FormulaC14H11Br2FN2O2
Molecular Weight418.06 g/mol
Exact Mass415.92
IUPAC Name2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Oc2ccc(/C(N)=N/O)c(Br)c2F)ccc1Br
InChIInChI=1S/C14H11Br2FN2O2/c1-7-6-8(2-4-10(7)15)21-11-5-3-9(14(18)19-20)12(16)13(11)17/h2-6,20H,1H3,(H2,18,19)
InChIKeyLAIKSMGPKAHSOY-UHFFFAOYSA-N
XLogP4.55
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.06
LogP ≤ 54.55
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(3,4-dichlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536180
2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536236
2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279072
4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 107658362
2-(4-bromo-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 83140941
2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 77059489
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
5-bromo-2-(4-bromo-3-methylphenoxy)benzamide
CID 114892345
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165
2-bromo-3-fluoro-N'-hydroxy-4-(4-methylpentoxy)benzenecarboximidamide
CID 107536164

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 107536246) is 2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is Cc1cc(Oc2ccc(/C(N)=N/O)c(Br)c2F)ccc1Br.
What is the InChIKey of 2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is LAIKSMGPKAHSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O2/c1-7-6-8(2-4-10(7)15)21-11-5-3-9(14(18)19-20)12(16)13(11)17/h2-6,20H,1H3,(H2,18,19).
What are the key properties of 2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 418.06 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107536246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).