N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide

C13H15F2N3O — CID 51101927

IUPACN-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide
SMILESCC(C)(C)NC(=O)CNc1c(F)cc(C#N)cc1F
InChIInChI=1S/C13H15F2N3O/c1-13(2,3)18-11(19)7-17-12-9(14)4-8(6-16)5-10(12)15/h4-5,17H,7H2,1-3H3,(H,18,19)
InChIKeyQDOFPMOREVFKET-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.16
Rot. Bonds3

About N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide

N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide (PubChem CID 51101927) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide
PubChem CID51101927
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide
SMILESCC(C)(C)NC(=O)CNc1c(F)cc(C#N)cc1F
InChIInChI=1S/C13H15F2N3O/c1-13(2,3)18-11(19)7-17-12-9(14)4-8(6-16)5-10(12)15/h4-5,17H,7H2,1-3H3,(H,18,19)
InChIKeyQDOFPMOREVFKET-UHFFFAOYSA-N
XLogP2.16
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide (CID 51101927) is N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide is CC(C)(C)NC(=O)CNc1c(F)cc(C#N)cc1F.
What is the InChIKey of N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide?
The InChIKey is QDOFPMOREVFKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-13(2,3)18-11(19)7-17-12-9(14)4-8(6-16)5-10(12)15/h4-5,17H,7H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide?
N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide has a molecular weight of 267.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-cyano-2,6-difluoroanilino)acetamide is sourced from PubChem (CID 51101927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).