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

C18H14F3N3O2 — CID 113175364

IUPAC2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O2/c1-12(25)24(16-8-4-14(5-9-16)18(19,20)21)11-17(26)23-15-6-2-13(10-22)3-7-15/h2-9H,11H2,1H3,(H,23,26)
InChIKeyMKVGKYRALBYPLK-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.57
Rot. Bonds4

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

2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide (PubChem CID 113175364) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
PubChem CID113175364
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O2/c1-12(25)24(16-8-4-14(5-9-16)18(19,20)21)11-17(26)23-15-6-2-13(10-22)3-7-15/h2-9H,11H2,1H3,(H,23,26)
InChIKeyMKVGKYRALBYPLK-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-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113181129
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 113175341
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
CID 113181733
2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113181116
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113177559
2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113175504
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide (CID 113175364) is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide?
The InChIKey is MKVGKYRALBYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-12(25)24(16-8-4-14(5-9-16)18(19,20)21)11-17(26)23-15-6-2-13(10-22)3-7-15/h2-9H,11H2,1H3,(H,23,26).
What are the key properties of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide?
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-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-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 113175364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).