3-[(4-Cyano-2-fluorophenyl)amino]propanamide

• Catalog Number: ACMA00000982
• Category: Amines
• Molecular Weight: 207.20
• Molecular Formula: C₁₁H₉NO₃
• Hazard Statements: H302
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H10FN3O.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(4-cyano-2-fluoroanilino)propanamide.

What is the molecular weight of the compound?

The molecular weight of the compound is 207.20 g/mol.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is C1=CC(=C(C=C1C#N)F)NCCC(=O)N.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H10FN3O/c11-8-5-7(6-12)1-2-9(8)14-4-3-10(13)15/h1-2,5,14H,3-4H2,(H2,13,15).

What is the InChIKey of the compound?

The InChIKey of the compound is KCBFFWYRUGWXBJ-UHFFFAOYSA-N.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.1.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 78.9 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.