2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide

C19H20Cl2N2O4 — CID 24511825

IUPAC2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide
SMILESCOc1cc(/C=N/OC(C)C(=O)NCc2ccccc2Cl)cc(Cl)c1OC
InChIInChI=1S/C19H20Cl2N2O4/c1-12(19(24)22-11-14-6-4-5-7-15(14)20)27-23-10-13-8-16(21)18(26-3)17(9-13)25-2/h4-10,12H,11H2,1-3H3,(H,22,24)/b23-10+
InChIKeyPZLWHTKQZCRKQY-AUEPDCJTSA-N
MW411.29 g/mol
LogP4.07
Rot. Bonds8

About 2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide

2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 24511825) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is 2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID24511825
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC Name2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide
SMILESCOc1cc(/C=N/OC(C)C(=O)NCc2ccccc2Cl)cc(Cl)c1OC
InChIInChI=1S/C19H20Cl2N2O4/c1-12(19(24)22-11-14-6-4-5-7-15(14)20)27-23-10-13-8-16(21)18(26-3)17(9-13)25-2/h4-10,12H,11H2,1-3H3,(H,22,24)/b23-10+
InChIKeyPZLWHTKQZCRKQY-AUEPDCJTSA-N
XLogP4.07
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.07
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

(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide
CID 7702876
(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(4-fluorophenyl)propanamide
CID 7703063
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 8869884
(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide
CID 7919078
N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9209715
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 7795048
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
2-[(E)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126373978
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]prop-2-enamide
CID 46590061
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 42975967
2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N,N-di(propan-2-yl)acetamide
CID 7702937

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide (CID 24511825) is 2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide is COc1cc(/C=N/OC(C)C(=O)NCc2ccccc2Cl)cc(Cl)c1OC.
What is the InChIKey of 2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is PZLWHTKQZCRKQY-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c1-12(19(24)22-11-14-6-4-5-7-15(14)20)27-23-10-13-8-16(21)18(26-3)17(9-13)25-2/h4-10,12H,11H2,1-3H3,(H,22,24)/b23-10+.
What are the key properties of 2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide?
2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 411.29 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 24511825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).