2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide

C19H12F3N3O — CID 3515586

IUPAC2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(C2=Nc3cccc4cccc(c34)N2)cc1)C(F)(F)F
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)18(26)23-13-9-7-12(8-10-13)17-24-14-5-1-3-11-4-2-6-15(25-17)16(11)14/h1-10H,(H,23,26)(H,24,25)
InChIKeyAQMGCURDEMYWET-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.84
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide (PubChem CID 3515586) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide
PubChem CID3515586
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(C2=Nc3cccc4cccc(c34)N2)cc1)C(F)(F)F
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)18(26)23-13-9-7-12(8-10-13)17-24-14-5-1-3-11-4-2-6-15(25-17)16(11)14/h1-10H,(H,23,26)(H,24,25)
InChIKeyAQMGCURDEMYWET-UHFFFAOYSA-N
XLogP4.84
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide (CID 3515586) is 2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide is O=C(Nc1ccc(C2=Nc3cccc4cccc(c34)N2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide?
The InChIKey is AQMGCURDEMYWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c20-19(21,22)18(26)23-13-9-7-12(8-10-13)17-24-14-5-1-3-11-4-2-6-15(25-17)16(11)14/h1-10H,(H,23,26)(H,24,25).
What are the key properties of 2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide has a molecular weight of 355.32 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(1H-perimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 3515586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).