2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide

C12H15F3N2O — CID 17496516

IUPAC2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(F)(F)F)cc1)N(C)C
InChIInChI=1S/C12H15F3N2O/c1-8(17(2)3)11(18)16-10-6-4-9(5-7-10)12(13,14)15/h4-8H,1-3H3,(H,16,18)
InChIKeyCUNANKWONJPLCB-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.59
Rot. Bonds3

About 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide

2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 17496516) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID17496516
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(F)(F)F)cc1)N(C)C
InChIInChI=1S/C12H15F3N2O/c1-8(17(2)3)11(18)16-10-6-4-9(5-7-10)12(13,14)15/h4-8H,1-3H3,(H,16,18)
InChIKeyCUNANKWONJPLCB-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide 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

2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
2-(dimethylamino)-N-(4-iodophenyl)propanamide
CID 91154002
(2S)-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 95665678
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46801955
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838301
(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 40896299
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42911485
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 17496516) is 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1ccc(C(F)(F)F)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CUNANKWONJPLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8(17(2)3)11(18)16-10-6-4-9(5-7-10)12(13,14)15/h4-8H,1-3H3,(H,16,18).
What are the key properties of 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 260.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 17496516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).