2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C13H15F3N2O2 — CID 4877482

IUPAC2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-8(18-9(2)19)12(20)17-7-10-4-3-5-11(6-10)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyNAYQWXRVJKNIIA-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.85
Rot. Bonds4

About 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 4877482) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID4877482
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-8(18-9(2)19)12(20)17-7-10-4-3-5-11(6-10)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyNAYQWXRVJKNIIA-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]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

2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 166191071
4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 42908391
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 55205235
(2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 95285499
N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 94031986
(2R)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 28880698
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43087745
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 51968871

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 4877482) is 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is CC(=O)NC(C)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is NAYQWXRVJKNIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8(18-9(2)19)12(20)17-7-10-4-3-5-11(6-10)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 288.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 4877482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).