2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide

C16H10F3N3O — CID 158853303

IUPAC2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide
SMILESO=C(Nc1cccc(-c2ncc3ccccc3n2)c1)C(F)(F)F
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)15(23)21-12-6-3-5-10(8-12)14-20-9-11-4-1-2-7-13(11)22-14/h1-9H,(H,21,23)
InChIKeyIZSRMERPIGXTEM-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.80
Rot. Bonds2

About 2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide

2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide (PubChem CID 158853303) has the molecular formula C16H10F3N3O and a molecular weight of 317.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide
PubChem CID158853303
Molecular FormulaC16H10F3N3O
Molecular Weight317.27 g/mol
Exact Mass317.08
IUPAC Name2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide
SMILESO=C(Nc1cccc(-c2ncc3ccccc3n2)c1)C(F)(F)F
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)15(23)21-12-6-3-5-10(8-12)14-20-9-11-4-1-2-7-13(11)22-14/h1-9H,(H,21,23)
InChIKeyIZSRMERPIGXTEM-UHFFFAOYSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide (CID 158853303) is 2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide is O=C(Nc1cccc(-c2ncc3ccccc3n2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide?
The InChIKey is IZSRMERPIGXTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O/c17-16(18,19)15(23)21-12-6-3-5-10(8-12)14-20-9-11-4-1-2-7-13(11)22-14/h1-9H,(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide?
2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide has a molecular weight of 317.27 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide is sourced from PubChem (CID 158853303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).