2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C15H15F4N3O2 — CID 17344697

IUPAC2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCC1=NC(NC(=O)c2ccccc2F)(C(F)(F)F)C(=O)N1C(C)C
InChIInChI=1S/C15H15F4N3O2/c1-8(2)22-9(3)20-14(13(22)24,15(17,18)19)21-12(23)10-6-4-5-7-11(10)16/h4-8H,1-3H3,(H,21,23)
InChIKeyGAESMJLHMGOCHS-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.48
Rot. Bonds3

About 2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide

2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 17344697) has the molecular formula C15H15F4N3O2 and a molecular weight of 345.30 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID17344697
Molecular FormulaC15H15F4N3O2
Molecular Weight345.30 g/mol
Exact Mass345.11
IUPAC Name2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCC1=NC(NC(=O)c2ccccc2F)(C(F)(F)F)C(=O)N1C(C)C
InChIInChI=1S/C15H15F4N3O2/c1-8(2)22-9(3)20-14(13(22)24,15(17,18)19)21-12(23)10-6-4-5-7-11(10)16/h4-8H,1-3H3,(H,21,23)
InChIKeyGAESMJLHMGOCHS-UHFFFAOYSA-N
XLogP2.48
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344609
N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide
CID 17344728
2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7472380
methyl (4S)-4-[(2-fluorobenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
CID 7310807
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730
2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 17344371
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
N-(2,5-dimethylpyrrol-1-yl)-2-fluorobenzamide
CID 43822402

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 17344697) is 2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide is CC1=NC(NC(=O)c2ccccc2F)(C(F)(F)F)C(=O)N1C(C)C.
What is the InChIKey of 2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is GAESMJLHMGOCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O2/c1-8(2)22-9(3)20-14(13(22)24,15(17,18)19)21-12(23)10-6-4-5-7-11(10)16/h4-8H,1-3H3,(H,21,23).
What are the key properties of 2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 345.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 17344697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).