5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide

C14H13BrN2O2 — CID 114892715

IUPAC5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
SMILESCc1ccc(Oc2ccc(Br)cc2/C(N)=N/O)cc1
InChIInChI=1S/C14H13BrN2O2/c1-9-2-5-11(6-3-9)19-13-7-4-10(15)8-12(13)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyBVPNUYHDILYILG-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.64
Rot. Bonds3

About 5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide

5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide (PubChem CID 114892715) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
PubChem CID114892715
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
SMILESCc1ccc(Oc2ccc(Br)cc2/C(N)=N/O)cc1
InChIInChI=1S/C14H13BrN2O2/c1-9-2-5-11(6-3-9)19-13-7-4-10(15)8-12(13)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyBVPNUYHDILYILG-UHFFFAOYSA-N
XLogP3.64
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.64
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

5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930240
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
5-bromo-2-(5-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 102981960
5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892710
2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76987267
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide (CID 114892715) is 5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide is Cc1ccc(Oc2ccc(Br)cc2/C(N)=N/O)cc1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide?
The InChIKey is BVPNUYHDILYILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-2-5-11(6-3-9)19-13-7-4-10(15)8-12(13)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide?
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide has a molecular weight of 321.17 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 114892715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).