2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide

C15H15BrN2O3 — CID 107278882

IUPAC2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
SMILESCOc1cccc(COc2ccc(/C(N)=N/O)c(Br)c2)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-11-4-2-3-10(7-11)9-21-12-5-6-13(14(16)8-12)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyVGCIWRKWVKQMKV-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.13
Rot. Bonds5

About 2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide

2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide (PubChem CID 107278882) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
PubChem CID107278882
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
SMILESCOc1cccc(COc2ccc(/C(N)=N/O)c(Br)c2)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-11-4-2-3-10(7-11)9-21-12-5-6-13(14(16)8-12)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyVGCIWRKWVKQMKV-UHFFFAOYSA-N
XLogP3.13
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.13
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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Related Compounds

4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76984860
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107279022
4-[(3-methoxyphenyl)methoxy]-2-methylbenzenecarbothioamide
CID 81277331
2-bromo-N'-hydroxy-4-(3-phenylpropoxy)benzenecarboximidamide
CID 107278992
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107278941
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
2-bromo-4-heptoxy-N'-hydroxybenzenecarboximidamide
CID 107278949
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide (CID 107278882) is 2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide is COc1cccc(COc2ccc(/C(N)=N/O)c(Br)c2)c1.
What is the InChIKey of 2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
The InChIKey is VGCIWRKWVKQMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-11-4-2-3-10(7-11)9-21-12-5-6-13(14(16)8-12)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide has a molecular weight of 351.20 g/mol, XLogP of 3.13, 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-[(3-methoxyphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 107278882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).