4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide

C20H20F3NO2 — CID 26594245

IUPAC4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H20F3NO2/c1-14-2-6-16(7-3-14)18(25)10-11-19(26)24-13-12-15-4-8-17(9-5-15)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,26)
InChIKeyXWVRULFYTDZMIW-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.34
Rot. Bonds7

About 4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide

4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 26594245) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID26594245
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H20F3NO2/c1-14-2-6-16(7-3-14)18(25)10-11-19(26)24-13-12-15-4-8-17(9-5-15)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,26)
InChIKeyXWVRULFYTDZMIW-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 25402695
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 31146992
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594248
N'-hydroxy-N-[2-(4-methylphenyl)ethyl]butanediamide
CID 162387640
2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide
CID 108540704
1-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874692
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one
CID 105093699
N-(3-methylbutyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295011
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide (CID 26594245) is 4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide is Cc1ccc(C(=O)CCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is XWVRULFYTDZMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-14-2-6-16(7-3-14)18(25)10-11-19(26)24-13-12-15-4-8-17(9-5-15)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,26).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 363.38 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 26594245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).