N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide

C15H20F3NO2 — CID 142120433

IUPACN-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESCCC(=O)N(c1cccc(OC(F)(F)F)c1)C(CC)CC
InChIInChI=1S/C15H20F3NO2/c1-4-11(5-2)19(14(20)6-3)12-8-7-9-13(10-12)21-15(16,17)18/h7-11H,4-6H2,1-3H3
InChIKeyCGRLLBOGCSLMAG-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.52
Rot. Bonds6

About N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide

N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 142120433) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID142120433
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESCCC(=O)N(c1cccc(OC(F)(F)F)c1)C(CC)CC
InChIInChI=1S/C15H20F3NO2/c1-4-11(5-2)19(14(20)6-3)12-8-7-9-13(10-12)21-15(16,17)18/h7-11H,4-6H2,1-3H3
InChIKeyCGRLLBOGCSLMAG-UHFFFAOYSA-N
XLogP4.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 71106762
N-butan-2-yl-N-methyl-3-(trifluoromethoxy)aniline
CID 142120917
2-chloro-1-[3-(trifluoromethoxy)phenyl]butan-1-one
CID 146008195
3-ethyl-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 103458432
3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 114971379
N-butyl-3,3-dimethyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 18736042
N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 54449322
2-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116552839
2-(4-fluoroanilino)-1-[3-(trifluoromethoxy)phenyl]butan-1-one
CID 138627399
4-[N-methyl-3-(trifluoromethoxy)anilino]butanoic acid
CID 119135300
tert-butyl 2-[N-(2-aminoacetyl)-3-(trifluoromethoxy)anilino]acetate
CID 19001931
ethyl 2-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 151326809

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide (CID 142120433) is N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide is CCC(=O)N(c1cccc(OC(F)(F)F)c1)C(CC)CC.
What is the InChIKey of N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is CGRLLBOGCSLMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-4-11(5-2)19(14(20)6-3)12-8-7-9-13(10-12)21-15(16,17)18/h7-11H,4-6H2,1-3H3.
What are the key properties of N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide?
N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 303.32 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 142120433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).