2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide

C18H17F3N2O2 — CID 113175125

IUPAC2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-13(24)23(16-9-5-8-15(10-16)18(19,20)21)12-17(25)22-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyHKABFCVYHBZTRH-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.37
Rot. Bonds5

About 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide

2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide (PubChem CID 113175125) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
PubChem CID113175125
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-13(24)23(16-9-5-8-15(10-16)18(19,20)21)12-17(25)22-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyHKABFCVYHBZTRH-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide 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-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429
2-(N-acetyl-3-bromoanilino)-N-benzylacetamide
CID 113177894
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide
CID 113175103
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
CID 113061447
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
CID 113175232
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 113175276
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113130437

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide?
The IUPAC name of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide (CID 113175125) is 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide.
What is the SMILES notation for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide?
The canonical SMILES for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide is CC(=O)N(CC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide?
The InChIKey is HKABFCVYHBZTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-13(24)23(16-9-5-8-15(10-16)18(19,20)21)12-17(25)22-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,22,25).
What are the key properties of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide?
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide has a molecular weight of 350.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide is sourced from PubChem (CID 113175125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).