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

C13H17F3N2O — CID 718637

IUPAC2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)CC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-3-18(4-2)9-12(19)17-11-7-5-6-10(8-11)13(14,15)16/h5-8H,3-4,9H2,1-2H3,(H,17,19)
InChIKeyJKSSCVRQSVZARB-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.40
Rot. Bonds5

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

2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 718637) has the molecular formula C13H17F3N2O and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID718637
Molecular FormulaC13H17F3N2O
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)CC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-3-18(4-2)9-12(19)17-11-7-5-6-10(8-11)13(14,15)16/h5-8H,3-4,9H2,1-2H3,(H,17,19)
InChIKeyJKSSCVRQSVZARB-UHFFFAOYSA-N
XLogP3.40
TPSA32.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity290

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Lidocaine
CID 3676
Fluometuron
CID 16562
Prilocaine
CID 4906
Monoethylglycinexylidide
CID 24415
Prilocaine Hydrochloride
CID 92163
Lidocaine Hydrochloride
CID 6314
Etidocaine
CID 37497
1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
Lidocaine hydrochloride monohydrate
CID 16219577
N-(3-Methylphenyl)acetamide
CID 10843
Cvt-2738
CID 2608606
Lgd 2226
CID 11560224

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 718637) is 2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide is CCN(CC)CC(=O)NC1=CC=CC(=C1)C(F)(F)F.
What is the InChIKey of 2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JKSSCVRQSVZARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-18(4-2)9-12(19)17-11-7-5-6-10(8-11)13(14,15)16/h5-8H,3-4,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 274.28 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 718637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).