N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide

C13H17F3N2O2 — CID 61491158

IUPACN-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCCCOCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-10(19)18-12-5-3-11(4-6-12)17-7-2-8-20-9-13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyFCDLWQKNYXWJCC-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.03
Rot. Bonds7

About N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide

N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide (PubChem CID 61491158) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
PubChem CID61491158
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCCCOCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-10(19)18-12-5-3-11(4-6-12)17-7-2-8-20-9-13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyFCDLWQKNYXWJCC-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
CID 71857332
N-[4-(3-ethoxypropylamino)phenyl]acetamide
CID 65176145
N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide
CID 103206455
4-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491160
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491042
N-[4-(3-phenoxypropylamino)phenyl]acetamide
CID 60678376
2-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetonitrile
CID 62301681
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
3-N,3-N,4-trimethyl-1-N-[3-(2,2,2-trifluoroethoxy)propyl]benzene-1,3-diamine
CID 115378143
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide
CID 22279321

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide?
The IUPAC name of N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide (CID 61491158) is N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCCCOCC(F)(F)F)cc1.
What is the InChIKey of N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide?
The InChIKey is FCDLWQKNYXWJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-10(19)18-12-5-3-11(4-6-12)17-7-2-8-20-9-13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19).
What are the key properties of N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide?
N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide has a molecular weight of 290.29 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide is sourced from PubChem (CID 61491158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).