2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H13BrN2O2 — CID 24709005

IUPAC2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C14H13BrN2O2/c15-11-5-3-4-10(8-11)9-19-13-7-2-1-6-12(13)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKeyFOXRMGYRGVZFLD-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.12
Rot. Bonds4

About 2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 24709005) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID24709005
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C14H13BrN2O2/c15-11-5-3-4-10(8-11)9-19-13-7-2-1-6-12(13)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKeyFOXRMGYRGVZFLD-UHFFFAOYSA-N
XLogP3.12
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.12
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-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 104797666
2-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028883
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 175042655
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
phenacyl 2-[(3-bromophenyl)methoxy]benzoate
CID 18274703
N'-amino-2-phenylmethoxybenzenecarboximidamide
CID 54032335
[2-[(3-bromophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530074
1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide
CID 31302458
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 24709005) is 2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FOXRMGYRGVZFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-11-5-3-4-10(8-11)9-19-13-7-2-1-6-12(13)14(16)17-18/h1-8,18H,9H2,(H2,16,17).
What are the key properties of 2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 321.17 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 24709005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).