2-(4-bromophenyl)-N'-hydroxyethanimidamide

C8H9BrN2O — CID 2757114

IUPAC2-(4-bromophenyl)-N'-hydroxyethanimidamide
SMILESNC(Cc1ccc(Br)cc1)=NO
InChIInChI=1S/C8H9BrN2O/c9-7-3-1-6(2-4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
InChIKeyWHICEIACQGPSMU-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.74
Rot. Bonds2

About 2-(4-bromophenyl)-N'-hydroxyethanimidamide

2-(4-bromophenyl)-N'-hydroxyethanimidamide (PubChem CID 2757114) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N'-hydroxyethanimidamide
PubChem CID2757114
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name2-(4-bromophenyl)-N'-hydroxyethanimidamide
SMILESNC(Cc1ccc(Br)cc1)=NO
InChIInChI=1S/C8H9BrN2O/c9-7-3-1-6(2-4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
InChIKeyWHICEIACQGPSMU-UHFFFAOYSA-N
XLogP1.74
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-hydroxybenzene-1-carboximidamide
CID 9581551
N'-hydroxy-2-phenylethanimidamide
CID 2731007
4-Bromo-N-hydroxybenzimidamide
CID 2756838
4-Bromobenzamidoxime
CID 5706378
(1E)-N'-hydroxy-2-phenylethanimidamide
CID 6074309
2-Phenylacetamidoxime
CID 9566465
1-(4-Bromophenyl)-2-(hydroxyamino)-2-methyl-1-propanone oxime
CID 5348568
2-(4-Bromophenyl)ethanimidamide hydrochloride
CID 21499748
2-(3-Bromophenyl)ethanimidamide hydrochloride
CID 71758696
2-[2-(4-Bromophenyl)ethyl]-1-hydroxyguanidine;hydrochloride
CID 71745482
2-(4-Bromophenyl)-1-(hydroxyimino)ethylamine
CID 5706394
2-(4-Bromo-phenyl)-N-hydroxy-acetamidine
CID 6029814

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4-bromophenyl)-N'-hydroxyethanimidamide (CID 2757114) is 2-(4-bromophenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4-bromophenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4-bromophenyl)-N'-hydroxyethanimidamide is NC(Cc1ccc(Br)cc1)=NO.
What is the InChIKey of 2-(4-bromophenyl)-N'-hydroxyethanimidamide?
The InChIKey is WHICEIACQGPSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-7-3-1-6(2-4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11).
What are the key properties of 2-(4-bromophenyl)-N'-hydroxyethanimidamide?
2-(4-bromophenyl)-N'-hydroxyethanimidamide has a molecular weight of 229.08 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 2757114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).