N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide

C15H12F3NO4 — CID 7014820

IUPACN-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide
SMILESCC(=O)C1=C(C)OC(=O)[C@@]1(NC(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H12F3NO4/c1-8(20)11-9(2)23-13(22)14(11,15(16,17)18)19-12(21)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyXWNLRMZXSSOQTO-CQSZACIVSA-N
MW327.26 g/mol
LogP2.14
Rot. Bonds3

About N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide

N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide (PubChem CID 7014820) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide
PubChem CID7014820
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC NameN-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide
SMILESCC(=O)C1=C(C)OC(=O)[C@@]1(NC(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H12F3NO4/c1-8(20)11-9(2)23-13(22)14(11,15(16,17)18)19-12(21)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyXWNLRMZXSSOQTO-CQSZACIVSA-N
XLogP2.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-4-tert-butylbenzamide
CID 29064217
N-[(3S)-4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-2-methoxybenzamide
CID 2242406
N-[4-benzoyl-5-methyl-2-oxo-1-(2-phenylethyl)-3-(trifluoromethyl)pyrrol-3-yl]-4-fluorobenzamide
CID 4059007
N-[(3S)-4-benzoyl-1-cycloheptyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-4-propan-2-yloxybenzamide
CID 2025856
N-[(2S,6R,8S,12R)-14-acetyl-7-methyl-3,5,9,11-tetraoxo-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-1-yl]benzamide
CID 12022153
N-(trifluoromethylsulfonyl)benzamide
CID 12023043
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
N-[(3S)-4-benzoyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-2-methoxybenzamide
CID 92651830
N-[(3S)-4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]pentanamide
CID 42587829
N-(trifluoromethylcarbamoyl)benzamide
CID 154349389
N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide
CID 17382931
N-[(3S)-4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide?
The IUPAC name of N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide (CID 7014820) is N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide.
What is the SMILES notation for N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide?
The canonical SMILES for N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide is CC(=O)C1=C(C)OC(=O)[C@@]1(NC(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide?
The InChIKey is XWNLRMZXSSOQTO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-8(20)11-9(2)23-13(22)14(11,15(16,17)18)19-12(21)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide?
N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide has a molecular weight of 327.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4-acetyl-5-methyl-2-oxo-3-(trifluoromethyl)furan-3-yl]benzamide is sourced from PubChem (CID 7014820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).