N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide

C19H17F2N3O2 — CID 71801676

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)NCCOc1ccc(F)cc1
InChIInChI=1S/C19H17F2N3O2/c20-16-3-1-14(2-4-16)15-11-23-24(12-15)13-19(25)22-9-10-26-18-7-5-17(21)6-8-18/h1-8,11-12H,9-10,13H2,(H,22,25)
InChIKeyHNVORIHEPWFLRG-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.02
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide

N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide (PubChem CID 71801676) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide
PubChem CID71801676
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)NCCOc1ccc(F)cc1
InChIInChI=1S/C19H17F2N3O2/c20-16-3-1-14(2-4-16)15-11-23-24(12-15)13-19(25)22-9-10-26-18-7-5-17(21)6-8-18/h1-8,11-12H,9-10,13H2,(H,22,25)
InChIKeyHNVORIHEPWFLRG-UHFFFAOYSA-N
XLogP3.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide (CID 71801676) is N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide is O=C(Cn1cc(-c2ccc(F)cc2)cn1)NCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide?
The InChIKey is HNVORIHEPWFLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-16-3-1-14(2-4-16)15-11-23-24(12-15)13-19(25)22-9-10-26-18-7-5-17(21)6-8-18/h1-8,11-12H,9-10,13H2,(H,22,25).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide?
N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide has a molecular weight of 357.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 71801676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).