N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide

C19H17F3N2O4 — CID 1475738

IUPACN-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(=O)oc1/C=C/N(C)C
InChIInChI=1S/C19H17F3N2O4/c1-11(25)14-10-15(18(27)28-16(14)7-8-24(2)3)23-17(26)12-5-4-6-13(9-12)19(20,21)22/h4-10H,1-3H3,(H,23,26)/b8-7+
InChIKeyUQFKNUUKMYSGSY-BQYQJAHWSA-N
MW394.35 g/mol
LogP3.65
Rot. Bonds5

About N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide

N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 1475738) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID1475738
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(=O)oc1/C=C/N(C)C
InChIInChI=1S/C19H17F3N2O4/c1-11(25)14-10-15(18(27)28-16(14)7-8-24(2)3)23-17(26)12-5-4-6-13(9-12)19(20,21)22/h4-10H,1-3H3,(H,23,26)/b8-7+
InChIKeyUQFKNUUKMYSGSY-BQYQJAHWSA-N
XLogP3.65
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-
CID 2737848
Benzamide, N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-
CID 677972
methyl (benzoylamino)(2,6-dimethyl-4H-pyran-4-ylidene)acetate
CID 759162
ethyl 3-benzamido-2-oxo-6-(trifluoromethyl)-2H-pyran-5-carboxylate
CID 1475736
ethyl 3-[(4-methylbenzoyl)amino]-2-oxo-6-(trifluoromethyl)-2H-pyran-5-carboxylate
CID 1483062
N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-3-(trifluoromethyl)benzenecarboxamide
CID 1475729
methyl 6-methyl-2-oxo-3-{[3-(trifluoromethyl)benzoyl]amino}-2H-pyran-5-carboxylate
CID 1475732
N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-methylbenzenecarboxamide
CID 1483056
Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate
CID 2763734
Methyl 6-methyl-3-(4-methylbenzamido)-2-oxo-2H-pyran-5-carboxylate
CID 2764230
ethyl (benzoylamino)(2,6-dimethyl-4H-pyran-4-ylidene)acetate
CID 2225585
N-[6-(Heptafluoropropyl)-2-oxo-2H-pyran-3-yl]benzamide
CID 12187891

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide (CID 1475738) is N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide is CC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(=O)oc1/C=C/N(C)C.
What is the InChIKey of N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is UQFKNUUKMYSGSY-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-11(25)14-10-15(18(27)28-16(14)7-8-24(2)3)23-17(26)12-5-4-6-13(9-12)19(20,21)22/h4-10H,1-3H3,(H,23,26)/b8-7+.
What are the key properties of N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide?
N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 394.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 1475738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).