2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C20H19F3N2O3 — CID 34757062

IUPAC2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-13-6-8-14(9-7-13)17(26)10-11-18(27)25-16-5-3-2-4-15(16)19(28)24-12-20(21,22)23/h2-9H,10-12H2,1H3,(H,24,28)(H,25,27)
InChIKeyLTYNSUOZNCRGNE-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.89
Rot. Bonds7

About 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 34757062) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID34757062
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-13-6-8-14(9-7-13)17(26)10-11-18(27)25-16-5-3-2-4-15(16)19(28)24-12-20(21,22)23/h2-9H,10-12H2,1H3,(H,24,28)(H,25,27)
InChIKeyLTYNSUOZNCRGNE-UHFFFAOYSA-N
XLogP3.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897
N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55342717
2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108538205
N-[2-[(2-cyanoacetyl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108922894
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731957
N-(2-aminoethyl)-2-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604472
2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24583375
2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 95625392
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
2-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539580

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 34757062) is 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LTYNSUOZNCRGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-13-6-8-14(9-7-13)17(26)10-11-18(27)25-16-5-3-2-4-15(16)19(28)24-12-20(21,22)23/h2-9H,10-12H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 34757062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).