2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide

C14H19F3N2O — CID 119343981

IUPAC2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(CCC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-2-4-12(18)13(20)19-11-6-3-5-10(9-11)7-8-14(15,16)17/h3,5-6,9,12H,2,4,7-8,18H2,1H3,(H,19,20)
InChIKeyYFEPLKISWJLKNN-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.25
Rot. Bonds6

About 2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide

2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide (PubChem CID 119343981) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide
PubChem CID119343981
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(CCC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-2-4-12(18)13(20)19-11-6-3-5-10(9-11)7-8-14(15,16)17/h3,5-6,9,12H,2,4,7-8,18H2,1H3,(H,19,20)
InChIKeyYFEPLKISWJLKNN-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-[3-(3,3,3-trifluoropropyl)phenyl]butanamide;hydrochloride
CID 119343972
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide
CID 119327254
2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 120669180
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
CID 119306590
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 119343965
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide (CID 119343981) is 2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide is CCCC(N)C(=O)Nc1cccc(CCC(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide?
The InChIKey is YFEPLKISWJLKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-4-12(18)13(20)19-11-6-3-5-10(9-11)7-8-14(15,16)17/h3,5-6,9,12H,2,4,7-8,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide?
2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide has a molecular weight of 288.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide is sourced from PubChem (CID 119343981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).