3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide

C12H10F3N3O2 — CID 47360885

IUPAC3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)7-10(19)17-8-1-3-9(4-2-8)18-6-5-16-11(18)20/h1-6H,7H2,(H,16,20)(H,17,19)
InChIKeyWOMYSZZVPFRSFI-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.06
Rot. Bonds3

About 3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide

3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide (PubChem CID 47360885) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
PubChem CID47360885
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)7-10(19)17-8-1-3-9(4-2-8)18-6-5-16-11(18)20/h1-6H,7H2,(H,16,20)(H,17,19)
InChIKeyWOMYSZZVPFRSFI-UHFFFAOYSA-N
XLogP2.06
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide (CID 47360885) is 3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide is O=C(CC(F)(F)F)Nc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
The InChIKey is WOMYSZZVPFRSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)7-10(19)17-8-1-3-9(4-2-8)18-6-5-16-11(18)20/h1-6H,7H2,(H,16,20)(H,17,19).
What are the key properties of 3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide has a molecular weight of 285.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 47360885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).