2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide

C18H19ClN2O2 — CID 4146329

IUPAC2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-12-4-9-17(13(2)10-12)14(3)20-21-18(22)11-23-16-7-5-15(19)6-8-16/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyLIINAQCLSXURNL-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.88
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide

2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide (PubChem CID 4146329) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide
PubChem CID4146329
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-12-4-9-17(13(2)10-12)14(3)20-21-18(22)11-23-16-7-5-15(19)6-8-16/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyLIINAQCLSXURNL-UHFFFAOYSA-N
XLogP3.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.88
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

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-(4-chlorophenoxy)-N-[(Z)-1-(2,3,4-trichlorophenyl)ethylideneamino]acetamide
CID 7934897
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9317091
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide
CID 9316609
2-(4-ethylphenoxy)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135575983
3-[4-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoate
CID 9393558
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
CID 3467390

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide (CID 4146329) is 2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide is CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide?
The InChIKey is LIINAQCLSXURNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-4-9-17(13(2)10-12)14(3)20-21-18(22)11-23-16-7-5-15(19)6-8-16/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 4146329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).