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

C18H14ClFN4O2 — CID 1223953

IUPAC2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)NN=Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN4O2/c19-15-3-1-2-4-16(15)26-11-17(25)23-21-9-13-10-22-24-18(13)12-5-7-14(20)8-6-12/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyOMSKAOVFZZXWRT-UHFFFAOYSA-N
MW372.79 g/mol
LogP3.40
Rot. Bonds6

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

2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide (PubChem CID 1223953) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
PubChem CID1223953
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)NN=Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN4O2/c19-15-3-1-2-4-16(15)26-11-17(25)23-21-9-13-10-22-24-18(13)12-5-7-14(20)8-6-12/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyOMSKAOVFZZXWRT-UHFFFAOYSA-N
XLogP3.40
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide (CID 1223953) is 2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide is O=C(COc1ccccc1Cl)NN=Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide?
The InChIKey is OMSKAOVFZZXWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c19-15-3-1-2-4-16(15)26-11-17(25)23-21-9-13-10-22-24-18(13)12-5-7-14(20)8-6-12/h1-10H,11H2,(H,22,24)(H,23,25).
What are the key properties of 2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide has a molecular weight of 372.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide is sourced from PubChem (CID 1223953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).