N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

C18H16FN3O — CID 16621974

IUPACN-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCc1ccccc1F
InChIInChI=1S/C18H16FN3O/c19-17-9-5-4-6-15(17)12-20-18(23)10-14-11-21-22(13-14)16-7-2-1-3-8-16/h1-9,11,13H,10,12H2,(H,20,23)
InChIKeyZGDDWQVCQXWBCX-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.87
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16621974) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16621974
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCc1ccccc1F
InChIInChI=1S/C18H16FN3O/c19-17-9-5-4-6-15(17)12-20-18(23)10-14-11-21-22(13-14)16-7-2-1-3-8-16/h1-9,11,13H,10,12H2,(H,20,23)
InChIKeyZGDDWQVCQXWBCX-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 16621974) is N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is ZGDDWQVCQXWBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-17-9-5-4-6-15(17)12-20-18(23)10-14-11-21-22(13-14)16-7-2-1-3-8-16/h1-9,11,13H,10,12H2,(H,20,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 309.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16621974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).