4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide

C15H20F3NO — CID 78768780

IUPAC4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-11(2)3-8-14(20)19-10-9-12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyRFIMUXZUBGRPCA-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.80
Rot. Bonds6

About 4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide

4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide (PubChem CID 78768780) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
PubChem CID78768780
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-11(2)3-8-14(20)19-10-9-12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyRFIMUXZUBGRPCA-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461113
4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594245
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate
CID 56520054
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 31146992
4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594248
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55512219

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide (CID 78768780) is 4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide is CC(C)CCC(=O)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide?
The InChIKey is RFIMUXZUBGRPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-11(2)3-8-14(20)19-10-9-12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide?
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide has a molecular weight of 287.32 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide is sourced from PubChem (CID 78768780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).