3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide

C12H15F3N2O2 — CID 62832471

IUPAC3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESCCNCCC(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-2-16-8-7-11(18)17-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18)
InChIKeyNSSRDGVJTZZBLV-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.52
Rot. Bonds6

About 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide

3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 62832471) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
PubChem CID62832471
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESCCNCCC(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-2-16-8-7-11(18)17-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18)
InChIKeyNSSRDGVJTZZBLV-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.52
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

3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
6-oxo-6-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 43529543
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 62837697
N-(2-aminophenyl)-N'-[2-(trifluoromethoxy)phenyl]heptanediamide
CID 45256999
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748
2-(4-methylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202525
2-(2-aminoethoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 79463675
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide (CID 62832471) is 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide is CCNCCC(=O)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is NSSRDGVJTZZBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-16-8-7-11(18)17-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide?
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 276.26 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 62832471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).