2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide

C18H14F3N3O2 — CID 113175092

IUPAC2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c1-12(25)24(16-9-5-3-7-14(16)18(19,20)21)11-17(26)23-15-8-4-2-6-13(15)10-22/h2-9H,11H2,1H3,(H,23,26)
InChIKeyGZWWQDDQAZHRIJ-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.57
Rot. Bonds4

About 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide (PubChem CID 113175092) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
PubChem CID113175092
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c1-12(25)24(16-9-5-3-7-14(16)18(19,20)21)11-17(26)23-15-8-4-2-6-13(15)10-22/h2-9H,11H2,1H3,(H,23,26)
InChIKeyGZWWQDDQAZHRIJ-UHFFFAOYSA-N
XLogP3.57
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113179388
2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113169003
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
CID 113175032
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 113175093
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
2-(N-acetyl-4-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113171090
2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113181547
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
CID 113180714
2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide (CID 113175092) is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
The InChIKey is GZWWQDDQAZHRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-12(25)24(16-9-5-3-7-14(16)18(19,20)21)11-17(26)23-15-8-4-2-6-13(15)10-22/h2-9H,11H2,1H3,(H,23,26).
What are the key properties of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide has a molecular weight of 361.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 113175092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).