2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C19H18FN3O — CID 16625919

IUPAC2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C19H18FN3O/c20-18-9-4-3-6-15(18)12-19(24)21-13-16-7-1-2-8-17(16)14-23-11-5-10-22-23/h1-11H,12-14H2,(H,21,24)
InChIKeyHNXNZRDWSWMTBM-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.93
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 16625919) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID16625919
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C19H18FN3O/c20-18-9-4-3-6-15(18)12-19(24)21-13-16-7-1-2-8-17(16)14-23-11-5-10-22-23/h1-11H,12-14H2,(H,21,24)
InChIKeyHNXNZRDWSWMTBM-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 16625919) is 2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cc1ccccc1F)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is HNXNZRDWSWMTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-18-9-4-3-6-15(18)12-19(24)21-13-16-7-1-2-8-17(16)14-23-11-5-10-22-23/h1-11H,12-14H2,(H,21,24).
What are the key properties of 2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 16625919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).