2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide

C23H19Cl3N2O4 — CID 19190403

IUPAC2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl3N2O4/c1-30-22-10-15(8-9-21(22)32-13-18-19(25)6-3-7-20(18)26)12-27-28-23(29)14-31-17-5-2-4-16(24)11-17/h2-12H,13-14H2,1H3,(H,28,29)/b27-12+
InChIKeyXFJKJBOCLTYDCV-KKMKTNMSSA-N
MW493.77 g/mol
LogP5.76
Rot. Bonds9

About 2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide

2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide (PubChem CID 19190403) has the molecular formula C23H19Cl3N2O4 and a molecular weight of 493.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
PubChem CID19190403
Molecular FormulaC23H19Cl3N2O4
Molecular Weight493.77 g/mol
Exact Mass492.04
IUPAC Name2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl3N2O4/c1-30-22-10-15(8-9-21(22)32-13-18-19(25)6-3-7-20(18)26)12-27-28-23(29)14-31-17-5-2-4-16(24)11-17/h2-12H,13-14H2,1H3,(H,28,29)/b27-12+
InChIKeyXFJKJBOCLTYDCV-KKMKTNMSSA-N
XLogP5.76
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.77
LogP ≤ 55.76
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-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190363
2-(2-bromo-4-methylphenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19190410
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19190408
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 19165820
2-(3-chlorophenoxy)-N-[(E)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126027473
[4-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 71952291
2-(3-chlorophenoxy)-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 19165680
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110507173
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693
N-[(E)-[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 126021013

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide (CID 19190403) is 2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide is COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide?
The InChIKey is XFJKJBOCLTYDCV-KKMKTNMSSA-N. The full InChI is InChI=1S/C23H19Cl3N2O4/c1-30-22-10-15(8-9-21(22)32-13-18-19(25)6-3-7-20(18)26)12-27-28-23(29)14-31-17-5-2-4-16(24)11-17/h2-12H,13-14H2,1H3,(H,28,29)/b27-12+.
What are the key properties of 2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide has a molecular weight of 493.77 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 19190403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).