6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide

C14H20ClFN2O2 — CID 106711821

IUPAC6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCOc1ccc(F)cc1Cl)/C(N)=N/O
InChIInChI=1S/C14H20ClFN2O2/c1-14(2,13(17)18-19)7-3-4-8-20-12-6-5-10(16)9-11(12)15/h5-6,9,19H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyOADSEVCWBOIHSW-UHFFFAOYSA-N
MW302.78 g/mol
LogP3.80
Rot. Bonds7

About 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711821) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711821
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC Name6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCOc1ccc(F)cc1Cl)/C(N)=N/O
InChIInChI=1S/C14H20ClFN2O2/c1-14(2,13(17)18-19)7-3-4-8-20-12-6-5-10(16)9-11(12)15/h5-6,9,19H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyOADSEVCWBOIHSW-UHFFFAOYSA-N
XLogP3.80
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 53.80
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'}

Analyze 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide 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

4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062624
6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711852
6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711792
N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide
CID 77062598
4-(2-chloro-5-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107528785
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063344
4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062416
5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063169

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711821) is 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCOc1ccc(F)cc1Cl)/C(N)=N/O.
What is the InChIKey of 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is OADSEVCWBOIHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2/c1-14(2,13(17)18-19)7-3-4-8-20-12-6-5-10(16)9-11(12)15/h5-6,9,19H,3-4,7-8H2,1-2H3,(H2,17,18).
What are the key properties of 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 302.78 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).