N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide

C13H17F3N2O — CID 43566828

IUPACN-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
SMILESCCNC(=O)CNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-3-17-12(19)8-18-9(2)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,18H,3,8H2,1-2H3,(H,17,19)
InChIKeySRBMWSURHZPONQ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide

N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide (PubChem CID 43566828) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
PubChem CID43566828
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
SMILESCCNC(=O)CNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-3-17-12(19)8-18-9(2)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,18H,3,8H2,1-2H3,(H,17,19)
InChIKeySRBMWSURHZPONQ-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409863
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
N-ethyl-2-[1-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 43566886
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43103125
2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115663692
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8638855
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
N-cyclopropyl-N-methyl-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]acetamide
CID 99820860
N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide
CID 42955452
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
CID 43566934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide?
The IUPAC name of N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide (CID 43566828) is N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide?
The canonical SMILES for N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide is CCNC(=O)CNC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide?
The InChIKey is SRBMWSURHZPONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-17-12(19)8-18-9(2)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,18H,3,8H2,1-2H3,(H,17,19).
What are the key properties of N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide?
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide has a molecular weight of 274.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide is sourced from PubChem (CID 43566828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).