2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide

C14H10F3N3O — CID 127264780

IUPAC2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide
SMILESO=C(Nc1cccc(C=Cc2ccncn2)c1)C(F)(F)F
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)13(21)20-12-3-1-2-10(8-12)4-5-11-6-7-18-9-19-11/h1-9H,(H,20,21)
InChIKeyUEGNIGHFJQUUOY-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.15
Rot. Bonds3

About 2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide

2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide (PubChem CID 127264780) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide
PubChem CID127264780
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide
SMILESO=C(Nc1cccc(C=Cc2ccncn2)c1)C(F)(F)F
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)13(21)20-12-3-1-2-10(8-12)4-5-11-6-7-18-9-19-11/h1-9H,(H,20,21)
InChIKeyUEGNIGHFJQUUOY-UHFFFAOYSA-N
XLogP3.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-2-[3-[(E)-2-pyrimidin-4-ylethenyl]phenyl]ethenyl]pyrimidine
CID 15527806
4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine
CID 127265152
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-[3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2,2,2-trifluoroacetamide
CID 46677978
2,2,2-trifluoro-N-[3-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 46677879
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
2,2,2-trifluoro-N-[3-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 47046301
2,2,2-trifluoro-N-[3-[(Z)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 97433492
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
2,2,2-trifluoro-N-[3-[(E)-3-oxo-3-(1,3,5-trimethylpyrazol-4-yl)prop-1-enyl]phenyl]acetamide
CID 48550919
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
propan-2-yl (E)-2-cyano-3-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enoate
CID 46677880

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide (CID 127264780) is 2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide is O=C(Nc1cccc(C=Cc2ccncn2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide?
The InChIKey is UEGNIGHFJQUUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)13(21)20-12-3-1-2-10(8-12)4-5-11-6-7-18-9-19-11/h1-9H,(H,20,21).
What are the key properties of 2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide?
2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide has a molecular weight of 293.25 g/mol, XLogP of 3.15, 3 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-(2-pyrimidin-4-ylethenyl)phenyl]acetamide is sourced from PubChem (CID 127264780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).