2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide

C19H19F3N2O2 — CID 113174995

IUPAC2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c1-14(25)24(17-11-7-6-10-16(17)19(20,21)22)13-18(26)23(2)12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3
InChIKeyYUTZJFYNIDRTHP-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.72
Rot. Bonds5

About 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide (PubChem CID 113174995) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
PubChem CID113174995
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c1-14(25)24(17-11-7-6-10-16(17)19(20,21)22)13-18(26)23(2)12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3
InChIKeyYUTZJFYNIDRTHP-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113179355
ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 113180526
2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
CID 113180655
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
CID 113175032
2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
CID 113170458
methyl 3-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176531
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113175030
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide
CID 113175034
2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171250
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
CID 113061369

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide (CID 113174995) is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide is CC(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide?
The InChIKey is YUTZJFYNIDRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-14(25)24(17-11-7-6-10-16(17)19(20,21)22)13-18(26)23(2)12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide?
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide has a molecular weight of 364.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 113174995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).