N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C15H21F3N2O — CID 78773980

IUPACN-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)CCNC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-3-20(4-2)9-8-19-14(21)11-12-6-5-7-13(10-12)15(16,17)18/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,21)
InChIKeyLXFPCSJTWMHNOF-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 78773980) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID78773980
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)CCNC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-3-20(4-2)9-8-19-14(21)11-12-6-5-7-13(10-12)15(16,17)18/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,21)
InChIKeyLXFPCSJTWMHNOF-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8798590
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide
CID 127120142
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 3691485
N-[2-(1H-imidazol-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 115620119

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 78773980) is N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CCN(CC)CCNC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LXFPCSJTWMHNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-20(4-2)9-8-19-14(21)11-12-6-5-7-13(10-12)15(16,17)18/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 302.34 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78773980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).