N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide

C18H19ClN2O2 — CID 909276

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
SMILESCC(=NNC(=O)COc1c(C)cccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-5-4-6-13(2)18(12)23-11-17(22)21-20-14(3)15-7-9-16(19)10-8-15/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyUKGJEGFMPBFFAU-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.88
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide

N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 909276) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
PubChem CID909276
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
SMILESCC(=NNC(=O)COc1c(C)cccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-5-4-6-13(2)18(12)23-11-17(22)21-20-14(3)15-7-9-16(19)10-8-15/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyUKGJEGFMPBFFAU-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

2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 763872
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685551
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
5-[(Z)-N-[[2-(2,6-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8860547
2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide
CID 135710565
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 46501283
4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 24634664

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide (CID 909276) is N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide is CC(=NNC(=O)COc1c(C)cccc1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is UKGJEGFMPBFFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-5-4-6-13(2)18(12)23-11-17(22)21-20-14(3)15-7-9-16(19)10-8-15/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide?
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)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 N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 909276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).