2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide

C18H19ClN2O4 — CID 39819272

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C18H19ClN2O4/c1-12-8-15(4-6-16(12)19)25-11-18(22)21-20-10-13-9-14(23-2)5-7-17(13)24-3/h4-10H,11H2,1-3H3,(H,21,22)/b20-10-
InChIKeyVIIWHLFNXMJGFW-JMIUGGIZSA-N
MW362.81 g/mol
LogP3.19
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 39819272) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID39819272
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C18H19ClN2O4/c1-12-8-15(4-6-16(12)19)25-11-18(22)21-20-10-13-9-14(23-2)5-7-17(13)24-3/h4-10H,11H2,1-3H3,(H,21,22)/b20-10-
InChIKeyVIIWHLFNXMJGFW-JMIUGGIZSA-N
XLogP3.19
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.19
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

2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6165893
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136661400
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 9316720
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide
CID 9316730
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9316746
2-(4-chloro-3-methylphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135412104
[4-[(E)-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 43907023
[2-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 1243771
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19182694
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135643954
2-(3-chlorophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 4603346

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide (CID 39819272) is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(OC)c(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is VIIWHLFNXMJGFW-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-12-8-15(4-6-16(12)19)25-11-18(22)21-20-10-13-9-14(23-2)5-7-17(13)24-3/h4-10H,11H2,1-3H3,(H,21,22)/b20-10-.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 362.81 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 39819272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).