2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide

C17H13F5N2O2 — CID 113175232

IUPAC2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F5N2O2/c1-10(25)24(12-5-2-4-11(8-12)17(20,21)22)9-15(26)23-16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,23,26)
InChIKeyXNCXKKNKATUFRV-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.98
Rot. Bonds4

About 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide

2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 113175232) has the molecular formula C17H13F5N2O2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
PubChem CID113175232
Molecular FormulaC17H13F5N2O2
Molecular Weight372.29 g/mol
Exact Mass372.09
IUPAC Name2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F5N2O2/c1-10(25)24(12-5-2-4-11(8-12)17(20,21)22)9-15(26)23-16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,23,26)
InChIKeyXNCXKKNKATUFRV-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 113175197
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide
CID 113175103
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
2-(N-acetyl-2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170844
2-(N-acetyl-3,4-dimethylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113168375
2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113175504
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113061457
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
CID 113130502
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 113174500
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113135449

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide (CID 113175232) is 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is XNCXKKNKATUFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O2/c1-10(25)24(12-5-2-4-11(8-12)17(20,21)22)9-15(26)23-16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,23,26).
What are the key properties of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide?
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 372.29 g/mol, XLogP of 3.98, 4 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-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 113175232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).