(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide

C9H10Cl2N2O2 — CID 7222417

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)/C(N)=N\O
InChIInChI=1S/C9H10Cl2N2O2/c1-5(9(12)13-14)15-8-3-2-6(10)4-7(8)11/h2-5,14H,1H3,(H2,12,13)/t5-/m1/s1
InChIKeyKCEKHBDQRWJTKG-RXMQYKEDSA-N
MW249.10 g/mol
LogP2.51
Rot. Bonds3

About (2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide

(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide (PubChem CID 7222417) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
PubChem CID7222417
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)/C(N)=N\O
InChIInChI=1S/C9H10Cl2N2O2/c1-5(9(12)13-14)15-8-3-2-6(10)4-7(8)11/h2-5,14H,1H3,(H2,12,13)/t5-/m1/s1
InChIKeyKCEKHBDQRWJTKG-RXMQYKEDSA-N
XLogP2.51
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.51
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

amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide
CID 77055072
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide
CID 43175176
5-chloro-2-[2-(2,4-dichlorophenoxy)propanoyloxy]benzoic acid
CID 54855091
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide (CID 7222417) is (2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide is C[C@@H](Oc1ccc(Cl)cc1Cl)/C(N)=N\O.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide?
The InChIKey is KCEKHBDQRWJTKG-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-5(9(12)13-14)15-8-3-2-6(10)4-7(8)11/h2-5,14H,1H3,(H2,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide?
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide has a molecular weight of 249.10 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide is sourced from PubChem (CID 7222417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).