3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide

C14H19F3N2O — CID 109030749

IUPAC3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCN(CC)CCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-3-19(4-2)9-8-13(20)18-12-7-5-6-11(10-12)14(15,16)17/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,20)
InChIKeyGKZVDENYKBQJJK-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.38
Rot. Bonds6

About 3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 109030749) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID109030749
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCN(CC)CCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-3-19(4-2)9-8-13(20)18-12-7-5-6-11(10-12)14(15,16)17/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,20)
InChIKeyGKZVDENYKBQJJK-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912610
3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113123127
3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113136185
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8906928
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113135449
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
2-[2-hydroxyethyl(propyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881655
2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide
CID 87015064
CID 89006052
CID 89006052

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 109030749) is 3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide is CCN(CC)CCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GKZVDENYKBQJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-19(4-2)9-8-13(20)18-12-7-5-6-11(10-12)14(15,16)17/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,20).
What are the key properties of 3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 288.31 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109030749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).