N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide

C15H14Cl2N2O2 — CID 51110503

IUPACN'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide
SMILESN/C(COc1ccccc1)=N\OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-13-7-4-8-14(17)12(13)9-21-19-15(18)10-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19)
InChIKeyIPFKMYGXMZJXFX-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.86
Rot. Bonds6

About N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide

N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide (PubChem CID 51110503) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide.

Molecular Properties

Compound NameN'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide
PubChem CID51110503
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC NameN'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide
SMILESN/C(COc1ccccc1)=N\OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-13-7-4-8-14(17)12(13)9-21-19-15(18)10-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19)
InChIKeyIPFKMYGXMZJXFX-UHFFFAOYSA-N
XLogP3.86
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.86
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide
CID 3562027
3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide
CID 78766790
3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide
CID 78766902
N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide
CID 60523533
2-phenoxy-N'-propan-2-ylethanimidamide
CID 63181817
2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide
CID 51228805
2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide
CID 12728425
4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide
CID 55500664
N'-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]-2-phenoxyethanimidamide
CID 55542636
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206

Frequently Asked Questions

What is the IUPAC name of N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide?
The IUPAC name of N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide (CID 51110503) is N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide.
What is the SMILES notation for N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide?
The canonical SMILES for N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide is N/C(COc1ccccc1)=N\OCc1c(Cl)cccc1Cl.
What is the InChIKey of N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide?
The InChIKey is IPFKMYGXMZJXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-13-7-4-8-14(17)12(13)9-21-19-15(18)10-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19).
What are the key properties of N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide?
N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide has a molecular weight of 325.19 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide is sourced from PubChem (CID 51110503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).