2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

C19H17F3N2O3 — CID 113175504

IUPAC2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(C)=O)c1
InChIInChI=1S/C19H17F3N2O3/c1-12(25)14-4-3-5-17(10-14)24(13(2)26)11-18(27)23-16-8-6-15(7-9-16)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,27)
InChIKeyHZKYKJJCCBUVIK-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.90
Rot. Bonds5

About 2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 113175504) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID113175504
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(C)=O)c1
InChIInChI=1S/C19H17F3N2O3/c1-12(25)14-4-3-5-17(10-14)24(13(2)26)11-18(27)23-16-8-6-15(7-9-16)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,27)
InChIKeyHZKYKJJCCBUVIK-UHFFFAOYSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176312
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
2-(N,3-diacetylanilino)-N-phenylacetamide
CID 113175453
2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175462
methyl 3-[acetyl-[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 113176285
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide
CID 113175338
2-(N-acetyl-3,4-dimethylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113168375
2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113170050

Frequently Asked Questions

What is the IUPAC name of 2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 113175504) is 2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is CC(=O)c1cccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(C)=O)c1.
What is the InChIKey of 2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HZKYKJJCCBUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-12(25)14-4-3-5-17(10-14)24(13(2)26)11-18(27)23-16-8-6-15(7-9-16)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,27).
What are the key properties of 2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 378.35 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113175504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).