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

C13H17F3N2O — CID 119344001

IUPAC4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1ccccc1CCC(F)(F)F
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)8-7-10-4-1-2-5-11(10)18-12(19)6-3-9-17/h1-2,4-5H,3,6-9,17H2,(H,18,19)
InChIKeyNJWFWMFLQJMGGT-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.86
Rot. Bonds6

About 4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide

4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide (PubChem CID 119344001) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
PubChem CID119344001
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1ccccc1CCC(F)(F)F
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)8-7-10-4-1-2-5-11(10)18-12(19)6-3-9-17/h1-2,4-5H,3,6-9,17H2,(H,18,19)
InChIKeyNJWFWMFLQJMGGT-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
CID 107273556
2-(2,3-difluorophenyl)-N-[2-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 122143183
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride
CID 119343988
4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride
CID 119437962
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
2-hydroxy-2-methyl-3-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoylamino]propanoic acid
CID 122086584
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82955375
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide (CID 119344001) is 4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide is NCCCC(=O)Nc1ccccc1CCC(F)(F)F.
What is the InChIKey of 4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide?
The InChIKey is NJWFWMFLQJMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)8-7-10-4-1-2-5-11(10)18-12(19)6-3-9-17/h1-2,4-5H,3,6-9,17H2,(H,18,19).
What are the key properties of 4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide?
4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide has a molecular weight of 274.29 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide is sourced from PubChem (CID 119344001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).