N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide

C13H17F3N2O — CID 28571798

IUPACN,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCN(CC)C(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-18(4-2)12(19)9-17-11-7-5-6-10(8-11)13(14,15)16/h5-8,17H,3-4,9H2,1-2H3
InChIKeyOOFHZHIZFVBZIC-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.99
Rot. Bonds5

About N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide

N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 28571798) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID28571798
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCN(CC)C(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-18(4-2)12(19)9-17-11-7-5-6-10(8-11)13(14,15)16/h5-8,17H,3-4,9H2,1-2H3
InChIKeyOOFHZHIZFVBZIC-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(diethylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841572
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide
CID 54834141
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546555
N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 56539040
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831682
N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540336
2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide
CID 115693730

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide (CID 28571798) is N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide is CCN(CC)C(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is OOFHZHIZFVBZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-18(4-2)12(19)9-17-11-7-5-6-10(8-11)13(14,15)16/h5-8,17H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide?
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 274.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 28571798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).