2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide

C11H15BrN2O3 — CID 107279012

IUPAC2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
SMILESCOCC(C)Oc1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C11H15BrN2O3/c1-7(6-16-2)17-8-3-4-9(10(12)5-8)11(13)14-15/h3-5,7,15H,6H2,1-2H3,(H2,13,14)
InChIKeyNRIZZTQAIDDZNV-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.96
Rot. Bonds5

About 2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide

2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide (PubChem CID 107279012) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
PubChem CID107279012
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
SMILESCOCC(C)Oc1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C11H15BrN2O3/c1-7(6-16-2)17-8-3-4-9(10(12)5-8)11(13)14-15/h3-5,7,15H,6H2,1-2H3,(H2,13,14)
InChIKeyNRIZZTQAIDDZNV-UHFFFAOYSA-N
XLogP1.96
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide (CID 107279012) is 2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide is COCC(C)Oc1ccc(/C(N)=N/O)c(Br)c1.
What is the InChIKey of 2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide?
The InChIKey is NRIZZTQAIDDZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-7(6-16-2)17-8-3-4-9(10(12)5-8)11(13)14-15/h3-5,7,15H,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide?
2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide has a molecular weight of 303.16 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide is sourced from PubChem (CID 107279012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).