2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide

C11H11FN4O2 — CID 115367475

IUPAC2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide
SMILESN#Cc1ccc(N(CC(N)=O)CC(N)=O)cc1F
InChIInChI=1S/C11H11FN4O2/c12-9-3-8(2-1-7(9)4-13)16(5-10(14)17)6-11(15)18/h1-3H,5-6H2,(H2,14,17)(H2,15,18)
InChIKeyFAJGVMDJWSLVKO-UHFFFAOYSA-N
MW250.23 g/mol
LogP-0.53
Rot. Bonds5

About 2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide

2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide (PubChem CID 115367475) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide
PubChem CID115367475
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide
SMILESN#Cc1ccc(N(CC(N)=O)CC(N)=O)cc1F
InChIInChI=1S/C11H11FN4O2/c12-9-3-8(2-1-7(9)4-13)16(5-10(14)17)6-11(15)18/h1-3H,5-6H2,(H2,14,17)(H2,15,18)
InChIKeyFAJGVMDJWSLVKO-UHFFFAOYSA-N
XLogP-0.53
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide?
The IUPAC name of 2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide (CID 115367475) is 2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide.
What is the SMILES notation for 2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide?
The canonical SMILES for 2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide is N#Cc1ccc(N(CC(N)=O)CC(N)=O)cc1F.
What is the InChIKey of 2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide?
The InChIKey is FAJGVMDJWSLVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-9-3-8(2-1-7(9)4-13)16(5-10(14)17)6-11(15)18/h1-3H,5-6H2,(H2,14,17)(H2,15,18).
What are the key properties of 2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide?
2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide has a molecular weight of 250.23 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide is sourced from PubChem (CID 115367475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).