2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide

C16H15ClN2O3 — CID 54158947

IUPAC2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c1-18-16(20)15(19-21-2)13-5-3-4-6-14(13)22-12-9-7-11(17)8-10-12/h3-10H,1-2H3,(H,18,20)
InChIKeyONBLTHHRJYMIPH-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.23
Rot. Bonds5

About 2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide

2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 54158947) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID54158947
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c1-18-16(20)15(19-21-2)13-5-3-4-6-14(13)22-12-9-7-11(17)8-10-12/h3-10H,1-2H3,(H,18,20)
InChIKeyONBLTHHRJYMIPH-UHFFFAOYSA-N
XLogP3.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxyimino-N-methyl-2-[2-(4-phenoxyphenoxy)phenyl]acetamide
CID 54359900
2-[2-(3,4-dichlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54250767
2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54137319
methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
CID 10803045
(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 59956522
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 15835093
(2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 15767096
2-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54236155
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22419059
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide (CID 54158947) is 2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)C(=NOC)c1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is ONBLTHHRJYMIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-18-16(20)15(19-21-2)13-5-3-4-6-14(13)22-12-9-7-11(17)8-10-12/h3-10H,1-2H3,(H,18,20).
What are the key properties of 2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide?
2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 318.76 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 54158947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).