2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide

C18H19ClN2O2 — CID 5237817

IUPAC2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
SMILESCCC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-17(14-6-4-13(2)5-7-14)20-21-18(22)12-23-16-10-8-15(19)9-11-16/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeySWNZPZYHGIKMND-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.96
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide

2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide (PubChem CID 5237817) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
PubChem CID5237817
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
SMILESCCC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-17(14-6-4-13(2)5-7-14)20-21-18(22)12-23-16-10-8-15(19)9-11-16/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeySWNZPZYHGIKMND-UHFFFAOYSA-N
XLogP3.96
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.96
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-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
N-[(Z)-1-(4-chlorophenyl)propylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 7813174
N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 6018865
2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide
CID 4146329
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 135588966
2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135560385
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide (CID 5237817) is 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide is CCC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide?
The InChIKey is SWNZPZYHGIKMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-17(14-6-4-13(2)5-7-14)20-21-18(22)12-23-16-10-8-15(19)9-11-16/h4-11H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.96, 6 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-(4-methylphenyl)propylideneamino]acetamide is sourced from PubChem (CID 5237817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).