3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide

C11H14Cl2N2O2 — CID 43175295

IUPAC3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-2-7(6-10(14)15-16)17-9-5-3-4-8(12)11(9)13/h3-5,7,16H,2,6H2,1H3,(H2,14,15)
InChIKeyPLCDINUCZCCAJJ-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.29
Rot. Bonds5

About 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide

3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide (PubChem CID 43175295) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide
PubChem CID43175295
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-2-7(6-10(14)15-16)17-9-5-3-4-8(12)11(9)13/h3-5,7,16H,2,6H2,1H3,(H2,14,15)
InChIKeyPLCDINUCZCCAJJ-UHFFFAOYSA-N
XLogP3.29
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.29
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 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide 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

3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide
CID 43804670
3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide
CID 43368320
N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide
CID 43175259
N'-hydroxy-3-phenoxypentanimidamide
CID 43368248
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide
CID 43368616
2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 62451787
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
(2-chloro-6-pentan-3-yloxyphenyl)methanol
CID 114320524
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide
CID 57086054
(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide (CID 43175295) is 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide?
The InChIKey is PLCDINUCZCCAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-2-7(6-10(14)15-16)17-9-5-3-4-8(12)11(9)13/h3-5,7,16H,2,6H2,1H3,(H2,14,15).
What are the key properties of 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide?
3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide has a molecular weight of 277.15 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide is sourced from PubChem (CID 43175295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).