4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide

C13H17F3N2O — CID 60865016

IUPAC4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-9(18-7-3-6-12(17)19)10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8-9,18H,3,6-7H2,1H3,(H2,17,19)
InChIKeyAOAGFVMQCOOMLN-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.62
Rot. Bonds6

About 4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide

4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide (PubChem CID 60865016) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide.

Molecular Properties

Compound Name4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
PubChem CID60865016
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-9(18-7-3-6-12(17)19)10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8-9,18H,3,6-7H2,1H3,(H2,17,19)
InChIKeyAOAGFVMQCOOMLN-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 104860556
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
ethyl 2-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 61498388
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide?
The IUPAC name of 4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide (CID 60865016) is 4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide.
What is the SMILES notation for 4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide?
The canonical SMILES for 4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide is CC(NCCCC(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide?
The InChIKey is AOAGFVMQCOOMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(18-7-3-6-12(17)19)10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8-9,18H,3,6-7H2,1H3,(H2,17,19).
What are the key properties of 4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide?
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide has a molecular weight of 274.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide is sourced from PubChem (CID 60865016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).