N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide

C19H19ClF2N2O4 — CID 24606445

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N/OCC(=O)Nc2c(C)cc(C)cc2Cl)ccc1OC(F)F
InChIInChI=1S/C19H19ClF2N2O4/c1-11-6-12(2)18(14(20)7-11)24-17(25)10-27-23-9-13-4-5-15(28-19(21)22)16(8-13)26-3/h4-9,19H,10H2,1-3H3,(H,24,25)/b23-9+
InChIKeyMZRKNCVQYUWJRG-NUGSKGIGSA-N
MW412.82 g/mol
LogP4.56
Rot. Bonds8

About N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide (PubChem CID 24606445) has the molecular formula C19H19ClF2N2O4 and a molecular weight of 412.82 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
PubChem CID24606445
Molecular FormulaC19H19ClF2N2O4
Molecular Weight412.82 g/mol
Exact Mass412.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N/OCC(=O)Nc2c(C)cc(C)cc2Cl)ccc1OC(F)F
InChIInChI=1S/C19H19ClF2N2O4/c1-11-6-12(2)18(14(20)7-11)24-17(25)10-27-23-9-13-4-5-15(28-19(21)22)16(8-13)26-3/h4-9,19H,10H2,1-3H3,(H,24,25)/b23-9+
InChIKeyMZRKNCVQYUWJRG-NUGSKGIGSA-N
XLogP4.56
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.82
LogP ≤ 54.56
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-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7669003
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 24607111
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7665044
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7665025
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213537
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 18276134
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 7665154
N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700264
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2438469

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide (CID 24606445) is N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide is COc1cc(/C=N/OCC(=O)Nc2c(C)cc(C)cc2Cl)ccc1OC(F)F.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide?
The InChIKey is MZRKNCVQYUWJRG-NUGSKGIGSA-N. The full InChI is InChI=1S/C19H19ClF2N2O4/c1-11-6-12(2)18(14(20)7-11)24-17(25)10-27-23-9-13-4-5-15(28-19(21)22)16(8-13)26-3/h4-9,19H,10H2,1-3H3,(H,24,25)/b23-9+.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide has a molecular weight of 412.82 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide is sourced from PubChem (CID 24606445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).