4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide

C13H10BrClN2O2 — CID 114904195

IUPAC4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H10BrClN2O2/c14-8-1-6-11(13(16)17-18)12(7-8)19-10-4-2-9(15)3-5-10/h1-7,18H,(H2,16,17)
InChIKeyNMBWIEJINKTCNM-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.99
Rot. Bonds3

About 4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide

4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 114904195) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID114904195
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H10BrClN2O2/c14-8-1-6-11(13(16)17-18)12(7-8)19-10-4-2-9(15)3-5-10/h1-7,18H,(H2,16,17)
InChIKeyNMBWIEJINKTCNM-UHFFFAOYSA-N
XLogP3.99
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.99
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

4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
4-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76999572
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904303
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
2-(4-bromo-2-chlorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938807
2-(4-bromophenoxy)-4-chlorobenzenecarbothioamide
CID 63519808
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303583
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 114904195) is 4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Br)cc1Oc1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is NMBWIEJINKTCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-8-1-6-11(13(16)17-18)12(7-8)19-10-4-2-9(15)3-5-10/h1-7,18H,(H2,16,17).
What are the key properties of 4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide?
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 341.59 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114904195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).