3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide

C11H13F3N2O — CID 65233734

IUPAC3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide
SMILESCCNC(CC(N)=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H13F3N2O/c1-2-16-9(5-10(15)17)6-3-7(12)11(14)8(13)4-6/h3-4,9,16H,2,5H2,1H3,(H2,15,17)
InChIKeyKOLXUGRUNAXKIH-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.63
Rot. Bonds5

About 3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide

3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide (PubChem CID 65233734) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide
PubChem CID65233734
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide
SMILESCCNC(CC(N)=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H13F3N2O/c1-2-16-9(5-10(15)17)6-3-7(12)11(14)8(13)4-6/h3-4,9,16H,2,5H2,1H3,(H2,15,17)
InChIKeyKOLXUGRUNAXKIH-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
CID 65234349
3-(ethylamino)-3-(4-fluoro-3-methylphenyl)propanamide
CID 65234003
ethyl 2-(ethylamino)-2-(3,4,5-trifluorophenyl)acetate
CID 55147745
3-amino-3-(3,4,5-trifluorophenyl)propanamide
CID 63052709
3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 107105283
3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
CID 65236584
3-(ethylamino)-3-(1-ethylpyrazol-4-yl)propanamide
CID 103570864
3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanamide
CID 104823942
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
CID 115351332
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(ethylamino)propanamide
CID 65233622
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
CID 65236183

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide?
The IUPAC name of 3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide (CID 65233734) is 3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide?
The canonical SMILES for 3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide is CCNC(CC(N)=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide?
The InChIKey is KOLXUGRUNAXKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-2-16-9(5-10(15)17)6-3-7(12)11(14)8(13)4-6/h3-4,9,16H,2,5H2,1H3,(H2,15,17).
What are the key properties of 3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide?
3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide has a molecular weight of 246.23 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide is sourced from PubChem (CID 65233734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).