2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H12BrClN2O2 — CID 107279022

IUPAC2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C14H12BrClN2O2/c15-13-7-11(5-6-12(13)14(17)18-19)20-8-9-1-3-10(16)4-2-9/h1-7,19H,8H2,(H2,17,18)
InChIKeyYSKNKDYINDLIEB-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.78
Rot. Bonds4

About 2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 107279022) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID107279022
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C14H12BrClN2O2/c15-13-7-11(5-6-12(13)14(17)18-19)20-8-9-1-3-10(16)4-2-9/h1-7,19H,8H2,(H2,17,18)
InChIKeyYSKNKDYINDLIEB-UHFFFAOYSA-N
XLogP3.78
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.78
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-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882
2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107278941
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77056964
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
2-bromo-N'-hydroxy-4-(3-phenylpropoxy)benzenecarboximidamide
CID 107278992
2-bromo-4-heptoxy-N'-hydroxybenzenecarboximidamide
CID 107278949
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030
2-bromo-N'-hydroxy-4-(4-propylphenoxy)benzenecarboximidamide
CID 107278998
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 107279022) is 2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OCc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is YSKNKDYINDLIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c15-13-7-11(5-6-12(13)14(17)18-19)20-8-9-1-3-10(16)4-2-9/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 355.62 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107279022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).