2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide

C9H10Br2N2O2 — CID 77055072

IUPAC2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide
SMILESCC(Oc1ccc(Br)cc1Br)C(N)=NO
InChIInChI=1S/C9H10Br2N2O2/c1-5(9(12)13-14)15-8-3-2-6(10)4-7(8)11/h2-5,14H,1H3,(H2,12,13)
InChIKeyHHOWWJKWGQRJSL-UHFFFAOYSA-N
MW338.00 g/mol
LogP2.73
Rot. Bonds3

About 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide

2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide (PubChem CID 77055072) has the molecular formula C9H10Br2N2O2 and a molecular weight of 338.00 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide
PubChem CID77055072
Molecular FormulaC9H10Br2N2O2
Molecular Weight338.00 g/mol
Exact Mass335.91
IUPAC Name2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide
SMILESCC(Oc1ccc(Br)cc1Br)C(N)=NO
InChIInChI=1S/C9H10Br2N2O2/c1-5(9(12)13-14)15-8-3-2-6(10)4-7(8)11/h2-5,14H,1H3,(H2,12,13)
InChIKeyHHOWWJKWGQRJSL-UHFFFAOYSA-N
XLogP2.73
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 52.73
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'}

Analyze 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417
(2,5-dimethylphenyl) (2R)-2-(2,4-dibromophenoxy)propanoate
CID 40736842
2-(2,4-dibromophenoxy)-N'-hydroxyethanimidamide
CID 76874127
(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 1019999
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
2-(4-bromo-2-methylphenoxy)propanethioamide
CID 63216923
N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide
CID 77003399
2-(2-amino-4-bromophenoxy)propanamide
CID 65429423
(2S)-2-(2,4-dibromophenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124680092
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
6-(2,4-dibromophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711858
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567272

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide (CID 77055072) is 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide is CC(Oc1ccc(Br)cc1Br)C(N)=NO.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide?
The InChIKey is HHOWWJKWGQRJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O2/c1-5(9(12)13-14)15-8-3-2-6(10)4-7(8)11/h2-5,14H,1H3,(H2,12,13).
What are the key properties of 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide?
2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide has a molecular weight of 338.00 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77055072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).