2-(4-chlorophenoxy)-N-(methylideneamino)acetamide

C9H9ClN2O2 — CID 18773797

IUPAC2-(4-chlorophenoxy)-N-(methylideneamino)acetamide
SMILESC=NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c1-11-12-9(13)6-14-8-4-2-7(10)3-5-8/h2-5H,1,6H2,(H,12,13)
InChIKeyCFEUTXLYAPJAMV-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.45
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(methylideneamino)acetamide

2-(4-chlorophenoxy)-N-(methylideneamino)acetamide (PubChem CID 18773797) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(methylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(methylideneamino)acetamide
PubChem CID18773797
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name2-(4-chlorophenoxy)-N-(methylideneamino)acetamide
SMILESC=NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c1-11-12-9(13)6-14-8-4-2-7(10)3-5-8/h2-5H,1,6H2,(H,12,13)
InChIKeyCFEUTXLYAPJAMV-UHFFFAOYSA-N
XLogP1.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
CID 3467390
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide
CID 139571782
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide
CID 4146329
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-(4-chlorophenoxy)-N-oxoacetamide
CID 123460876
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135533084

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(methylideneamino)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(methylideneamino)acetamide (CID 18773797) is 2-(4-chlorophenoxy)-N-(methylideneamino)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(methylideneamino)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(methylideneamino)acetamide is C=NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(methylideneamino)acetamide?
The InChIKey is CFEUTXLYAPJAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-11-12-9(13)6-14-8-4-2-7(10)3-5-8/h2-5H,1,6H2,(H,12,13).
What are the key properties of 2-(4-chlorophenoxy)-N-(methylideneamino)acetamide?
2-(4-chlorophenoxy)-N-(methylideneamino)acetamide has a molecular weight of 212.64 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(methylideneamino)acetamide is sourced from PubChem (CID 18773797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).