N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide

C17H17F3N2O3 — CID 17382931

IUPACN-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)C(=O)N(c2ccc(C)cc2)C(C)=C1C(C)=O
InChIInChI=1S/C17H17F3N2O3/c1-9-5-7-13(8-6-9)22-10(2)14(11(3)23)16(15(22)25,17(18,19)20)21-12(4)24/h5-8H,1-4H3,(H,21,24)
InChIKeyAUIGUSXZSGAYAU-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.64
Rot. Bonds3

About N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide

N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide (PubChem CID 17382931) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide
PubChem CID17382931
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC NameN-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)C(=O)N(c2ccc(C)cc2)C(C)=C1C(C)=O
InChIInChI=1S/C17H17F3N2O3/c1-9-5-7-13(8-6-9)22-10(2)14(11(3)23)16(15(22)25,17(18,19)20)21-12(4)24/h5-8H,1-4H3,(H,21,24)
InChIKeyAUIGUSXZSGAYAU-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide
CID 28886919
methyl (4R)-4-acetamido-1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 7320245
methyl 4-acetamido-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 17382908
methyl (4S)-4-acetamido-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 2222604
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-[(3R)-4-acetyl-5-methyl-1-(2-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-4-aminobenzenesulfonamide
CID 25301042
N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
CID 2965057
N-[(3S)-4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]pentanamide
CID 42587829
N-[(3R)-4-acetyl-1-cyclohexyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-2-methoxybenzamide
CID 2712170
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide?
The IUPAC name of N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide (CID 17382931) is N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide.
What is the SMILES notation for N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide?
The canonical SMILES for N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide is CC(=O)NC1(C(F)(F)F)C(=O)N(c2ccc(C)cc2)C(C)=C1C(C)=O.
What is the InChIKey of N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide?
The InChIKey is AUIGUSXZSGAYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-9-5-7-13(8-6-9)22-10(2)14(11(3)23)16(15(22)25,17(18,19)20)21-12(4)24/h5-8H,1-4H3,(H,21,24).
What are the key properties of N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide?
N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide has a molecular weight of 354.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide is sourced from PubChem (CID 17382931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).