2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide

C18H13ClF3N3O2 — CID 113179388

IUPAC2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H13ClF3N3O2/c1-11(26)25(16-7-6-13(19)8-14(16)18(20,21)22)10-17(27)24-15-5-3-2-4-12(15)9-23/h2-8H,10H2,1H3,(H,24,27)
InChIKeyXEUHHWWFUXLMAI-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.22
Rot. Bonds4

About 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide

2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide (PubChem CID 113179388) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
PubChem CID113179388
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H13ClF3N3O2/c1-11(26)25(16-7-6-13(19)8-14(16)18(20,21)22)10-17(27)24-15-5-3-2-4-12(15)9-23/h2-8H,10H2,1H3,(H,24,27)
InChIKeyXEUHHWWFUXLMAI-UHFFFAOYSA-N
XLogP4.22
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113175092
2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113181547
2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide
CID 113179625
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420
3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide
CID 113134040
2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113169003
2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 113168215
2-(N-acetyl-4-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113171090

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide (CID 113179388) is 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
The InChIKey is XEUHHWWFUXLMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-11(26)25(16-7-6-13(19)8-14(16)18(20,21)22)10-17(27)24-15-5-3-2-4-12(15)9-23/h2-8H,10H2,1H3,(H,24,27).
What are the key properties of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide has a molecular weight of 395.77 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 113179388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).