N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide

C12H15Cl3N2O2 — CID 77062598

IUPACN'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide
SMILESCC(C)(CCOc1cc(Cl)c(Cl)cc1Cl)C(N)=NO
InChIInChI=1S/C12H15Cl3N2O2/c1-12(2,11(16)17-18)3-4-19-10-6-8(14)7(13)5-9(10)15/h5-6,18H,3-4H2,1-2H3,(H2,16,17)
InChIKeyCUYKZJRUUPWEFH-UHFFFAOYSA-N
MW325.62 g/mol
LogP4.19
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide (PubChem CID 77062598) has the molecular formula C12H15Cl3N2O2 and a molecular weight of 325.62 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide
PubChem CID77062598
Molecular FormulaC12H15Cl3N2O2
Molecular Weight325.62 g/mol
Exact Mass324.02
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide
SMILESCC(C)(CCOc1cc(Cl)c(Cl)cc1Cl)C(N)=NO
InChIInChI=1S/C12H15Cl3N2O2/c1-12(2,11(16)17-18)3-4-19-10-6-8(14)7(13)5-9(10)15/h5-6,18H,3-4H2,1-2H3,(H2,16,17)
InChIKeyCUYKZJRUUPWEFH-UHFFFAOYSA-N
XLogP4.19
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062624
4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711852
6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711821
4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062743
4-(2,5-dimethyl-4-nitrophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062337
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
6-(2,4-dibromophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711858
5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063169
N'-hydroxy-4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 77062541
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
CID 77062709

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide (CID 77062598) is N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide is CC(C)(CCOc1cc(Cl)c(Cl)cc1Cl)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide?
The InChIKey is CUYKZJRUUPWEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O2/c1-12(2,11(16)17-18)3-4-19-10-6-8(14)7(13)5-9(10)15/h5-6,18H,3-4H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide has a molecular weight of 325.62 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide is sourced from PubChem (CID 77062598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).