N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide

C14H18F3NO — CID 78778424

IUPACN-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
SMILESCCCCC(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-3-4-8-13(19)18-10(2)11-6-5-7-12(9-11)14(15,16)17/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyUJGKHMKOMKCLLJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.07
Rot. Bonds5

About N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide

N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide (PubChem CID 78778424) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
PubChem CID78778424
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
SMILESCCCCC(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-3-4-8-13(19)18-10(2)11-6-5-7-12(9-11)14(15,16)17/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyUJGKHMKOMKCLLJ-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
1-heptan-2-yl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 175464376
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 40817603
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
2-(4-ethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010094
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010093
4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 16621291
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide (CID 78778424) is N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide is CCCCC(=O)NC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide?
The InChIKey is UJGKHMKOMKCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-3-4-8-13(19)18-10(2)11-6-5-7-12(9-11)14(15,16)17/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide?
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide has a molecular weight of 273.30 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide is sourced from PubChem (CID 78778424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).