2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide

C18H14Cl2N4O2 — CID 4176450

IUPAC2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NN=Cc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N4O2/c19-14-3-1-12(2-4-14)18-13(10-22-24-18)9-21-23-17(25)11-26-16-7-5-15(20)6-8-16/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyDEHNXUWHUQWBLG-UHFFFAOYSA-N
MW389.24 g/mol
LogP3.91
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide

2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide (PubChem CID 4176450) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
PubChem CID4176450
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NN=Cc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N4O2/c19-14-3-1-12(2-4-14)18-13(10-22-24-18)9-21-23-17(25)11-26-16-7-5-15(20)6-8-16/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyDEHNXUWHUQWBLG-UHFFFAOYSA-N
XLogP3.91
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 136807840
N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 1027984
2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 3895912
2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 136913658
N-[(E)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135588704
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]hexadecanamide
CID 135647384
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
5-chloro-2-methoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135683238
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4-nitrobenzamide
CID 4748531
2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
CID 6897199

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide (CID 4176450) is 2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1)NN=Cc1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide?
The InChIKey is DEHNXUWHUQWBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c19-14-3-1-12(2-4-14)18-13(10-22-24-18)9-21-23-17(25)11-26-16-7-5-15(20)6-8-16/h1-10H,11H2,(H,22,24)(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide has a molecular weight of 389.24 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide is sourced from PubChem (CID 4176450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).