2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide

C19H19ClF2N2O4 — CID 9316755

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
SMILESCCOc1cccc(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)c1OC(F)F
InChIInChI=1S/C19H19ClF2N2O4/c1-3-26-16-6-4-5-13(18(16)28-19(21)22)10-23-24-17(25)11-27-14-7-8-15(20)12(2)9-14/h4-10,19H,3,11H2,1-2H3,(H,24,25)/b23-10-
InChIKeyBXGSZTFXWTWDKT-RMORIDSASA-N
MW412.82 g/mol
LogP4.18
Rot. Bonds9

About 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide (PubChem CID 9316755) has the molecular formula C19H19ClF2N2O4 and a molecular weight of 412.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
PubChem CID9316755
Molecular FormulaC19H19ClF2N2O4
Molecular Weight412.82 g/mol
Exact Mass412.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
SMILESCCOc1cccc(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)c1OC(F)F
InChIInChI=1S/C19H19ClF2N2O4/c1-3-26-16-6-4-5-13(18(16)28-19(21)22)10-23-24-17(25)11-27-14-7-8-15(20)12(2)9-14/h4-10,19H,3,11H2,1-2H3,(H,24,25)/b23-10-
InChIKeyBXGSZTFXWTWDKT-RMORIDSASA-N
XLogP4.18
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.82
LogP ≤ 54.18
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'}

Analyze 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide
CID 9316730
2-(4-chlorophenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9358652
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 9357743
2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5229956
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136661400
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190730
2-(3,4-dimethylphenoxy)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 9316184
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 9215041
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9316746
2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 39819272
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991594

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide (CID 9316755) is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide is CCOc1cccc(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)c1OC(F)F.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide?
The InChIKey is BXGSZTFXWTWDKT-RMORIDSASA-N. The full InChI is InChI=1S/C19H19ClF2N2O4/c1-3-26-16-6-4-5-13(18(16)28-19(21)22)10-23-24-17(25)11-27-14-7-8-15(20)12(2)9-14/h4-10,19H,3,11H2,1-2H3,(H,24,25)/b23-10-.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide has a molecular weight of 412.82 g/mol, XLogP of 4.18, 9 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-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 9316755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).