N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide

C20H18Cl2N4O3 — CID 18272118

IUPACN-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3Cl)c2Cl)cc1
InChIInChI=1S/C20H18Cl2N4O3/c1-13-16(20(22)26(25-13)18-6-4-3-5-17(18)21)11-23-24-19(27)12-29-15-9-7-14(28-2)8-10-15/h3-11H,12H2,1-2H3,(H,24,27)/b23-11+
InChIKeyMIYCBIXOOXUWED-FOKLQQMPSA-N
MW433.30 g/mol
LogP4.03
Rot. Bonds7

About N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide

N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 18272118) has the molecular formula C20H18Cl2N4O3 and a molecular weight of 433.30 g/mol. Its IUPAC name is N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
PubChem CID18272118
Molecular FormulaC20H18Cl2N4O3
Molecular Weight433.30 g/mol
Exact Mass432.08
IUPAC NameN-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3Cl)c2Cl)cc1
InChIInChI=1S/C20H18Cl2N4O3/c1-13-16(20(22)26(25-13)18-6-4-3-5-17(18)21)11-23-24-19(27)12-29-15-9-7-14(28-2)8-10-15/h3-11H,12H2,1-2H3,(H,24,27)/b23-11+
InChIKeyMIYCBIXOOXUWED-FOKLQQMPSA-N
XLogP4.03
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 1128810
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(2-iodo-4-methoxyphenoxy)acetamide
CID 5440175
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 46662584
N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6893283
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5443754
2-(2-bromophenoxy)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 56663382
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 5445787
N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316254
N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6899366
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide
CID 19189673
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1240252
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide (CID 18272118) is N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3Cl)c2Cl)cc1.
What is the InChIKey of N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is MIYCBIXOOXUWED-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H18Cl2N4O3/c1-13-16(20(22)26(25-13)18-6-4-3-5-17(18)21)11-23-24-19(27)12-29-15-9-7-14(28-2)8-10-15/h3-11H,12H2,1-2H3,(H,24,27)/b23-11+.
What are the key properties of N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 433.30 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 18272118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).