2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide

C11H9BrF3N3O — CID 103865855

IUPAC2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#Cc1ccc(NCC(=O)NCC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H9BrF3N3O/c12-8-3-7(4-16)1-2-9(8)17-5-10(19)18-6-11(13,14)15/h1-3,17H,5-6H2,(H,18,19)
InChIKeyYOWSVDBYDVRWJZ-UHFFFAOYSA-N
MW336.11 g/mol
LogP2.41
Rot. Bonds4

About 2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103865855) has the molecular formula C11H9BrF3N3O and a molecular weight of 336.11 g/mol. Its IUPAC name is 2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103865855
Molecular FormulaC11H9BrF3N3O
Molecular Weight336.11 g/mol
Exact Mass334.99
IUPAC Name2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#Cc1ccc(NCC(=O)NCC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H9BrF3N3O/c12-8-3-7(4-16)1-2-9(8)17-5-10(19)18-6-11(13,14)15/h1-3,17H,5-6H2,(H,18,19)
InChIKeyYOWSVDBYDVRWJZ-UHFFFAOYSA-N
XLogP2.41
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.11
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-cyano-2-(trifluoromethyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 86797674
2-(2-bromo-4-cyanoanilino)acetamide
CID 82797706
2-(2-bromo-4-cyanoanilino)-N-phenylacetamide
CID 107789540
2-(2-bromo-4-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 107789712
2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60690990
2-(2-bromo-4-cyanoanilino)-N-ethyl-N-methylacetamide
CID 104925790
3-bromo-4-[(2,2-difluoro-2-phenylethyl)amino]benzonitrile
CID 107789820
2-(2-bromo-4-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107789738
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 103865855) is 2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide is N#Cc1ccc(NCC(=O)NCC(F)(F)F)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YOWSVDBYDVRWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O/c12-8-3-7(4-16)1-2-9(8)17-5-10(19)18-6-11(13,14)15/h1-3,17H,5-6H2,(H,18,19).
What are the key properties of 2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 336.11 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103865855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).