4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide

C21H22F3NO3 — CID 31165478

IUPAC4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H22F3NO3/c1-2-15-3-7-17(8-4-15)19(26)11-12-20(27)25-13-16-5-9-18(10-6-16)28-14-21(22,23)24/h3-10H,2,11-14H2,1H3,(H,25,27)
InChIKeyKWVAPYZOABIBOE-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.47
Rot. Bonds9

About 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide

4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide (PubChem CID 31165478) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
PubChem CID31165478
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H22F3NO3/c1-2-15-3-7-17(8-4-15)19(26)11-12-20(27)25-13-16-5-9-18(10-6-16)28-14-21(22,23)24/h3-10H,2,11-14H2,1H3,(H,25,27)
InChIKeyKWVAPYZOABIBOE-UHFFFAOYSA-N
XLogP4.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119277655
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 25402695
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide (CID 31165478) is 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide is CCc1ccc(C(=O)CCC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide?
The InChIKey is KWVAPYZOABIBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c1-2-15-3-7-17(8-4-15)19(26)11-12-20(27)25-13-16-5-9-18(10-6-16)28-14-21(22,23)24/h3-10H,2,11-14H2,1H3,(H,25,27).
What are the key properties of 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide?
4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide has a molecular weight of 393.41 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 31165478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).