4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide

C11H15ClN2O2 — CID 24697005

IUPAC4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
SMILESCc1cc(Cl)ccc1OCCC/C(N)=N/O
InChIInChI=1S/C11H15ClN2O2/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(13)14-15/h4-5,7,15H,2-3,6H2,1H3,(H2,13,14)
InChIKeyXPNAZTICXUUWLS-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.55
Rot. Bonds5

About 4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide

4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide (PubChem CID 24697005) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
PubChem CID24697005
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
SMILESCc1cc(Cl)ccc1OCCC/C(N)=N/O
InChIInChI=1S/C11H15ClN2O2/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(13)14-15/h4-5,7,15H,2-3,6H2,1H3,(H2,13,14)
InChIKeyXPNAZTICXUUWLS-UHFFFAOYSA-N
XLogP2.55
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide
CID 109374706
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
2-(dimethylamino)ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 169177778
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine
CID 95455698
3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide
CID 43368325
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
3-[3-(4-chloro-2-methylphenoxy)propoxy]propan-1-amine
CID 82353373
3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide
CID 43368320
5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide
CID 76905959
undecyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 91699079

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide (CID 24697005) is 4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide is Cc1cc(Cl)ccc1OCCC/C(N)=N/O.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide?
The InChIKey is XPNAZTICXUUWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(13)14-15/h4-5,7,15H,2-3,6H2,1H3,(H2,13,14).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide?
4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide has a molecular weight of 242.71 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide is sourced from PubChem (CID 24697005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).