N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide

C17H17ClN2O4 — CID 54784607

IUPACN-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
SMILESCOc1cc(Cl)c(/C=N/NC(=O)COc2ccccc2)cc1OC
InChIInChI=1S/C17H17ClN2O4/c1-22-15-8-12(14(18)9-16(15)23-2)10-19-20-17(21)11-24-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
InChIKeyGUCOBTSCEJCNOE-VXLYETTFSA-N
MW348.79 g/mol
LogP2.89
Rot. Bonds7

About N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide

N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide (PubChem CID 54784607) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
PubChem CID54784607
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
SMILESCOc1cc(Cl)c(/C=N/NC(=O)COc2ccccc2)cc1OC
InChIInChI=1S/C17H17ClN2O4/c1-22-15-8-12(14(18)9-16(15)23-2)10-19-20-17(21)11-24-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
InChIKeyGUCOBTSCEJCNOE-VXLYETTFSA-N
XLogP2.89
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 54784583
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54784560
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 135738473
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 54784589
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3840478
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1014844
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5433203
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673
2-(2-chlorophenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 958496
2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 912843
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9315527

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide (CID 54784607) is N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide is COc1cc(Cl)c(/C=N/NC(=O)COc2ccccc2)cc1OC.
What is the InChIKey of N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is GUCOBTSCEJCNOE-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-22-15-8-12(14(18)9-16(15)23-2)10-19-20-17(21)11-24-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+.
What are the key properties of N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide?
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide has a molecular weight of 348.79 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 54784607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).