N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide

C17H17ClN2O2 — CID 957902

IUPACN-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN=Cc2cccc(Cl)c2)c1C
InChIInChI=1S/C17H17ClN2O2/c1-12-5-3-8-16(13(12)2)22-11-17(21)20-19-10-14-6-4-7-15(18)9-14/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyVXOJZTARJGLOER-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.49
Rot. Bonds5

About N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide

N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 957902) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID957902
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN=Cc2cccc(Cl)c2)c1C
InChIInChI=1S/C17H17ClN2O2/c1-12-5-3-8-16(13(12)2)22-11-17(21)20-19-10-14-6-4-7-15(18)9-14/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyVXOJZTARJGLOER-UHFFFAOYSA-N
XLogP3.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.49
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)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135884295
N-[(E)-(4-bromophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 19182261
2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 135643998
2-(2,3-dimethylphenoxy)-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]acetamide
CID 6092676
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
CID 10523412
N-[(3-chlorophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 690156
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 905230
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416702
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide (CID 957902) is N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide is Cc1cccc(OCC(=O)NN=Cc2cccc(Cl)c2)c1C.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is VXOJZTARJGLOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-5-3-8-16(13(12)2)22-11-17(21)20-19-10-14-6-4-7-15(18)9-14/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide?
N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 316.79 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 957902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).