2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide

C11H14FN3O2 — CID 83624523

IUPAC2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide
SMILESCN(C(=O)CNC(=O)CN)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2/c1-15(9-4-2-8(12)3-5-9)11(17)7-14-10(16)6-13/h2-5H,6-7,13H2,1H3,(H,14,16)
InChIKeyNGZURCGGOHWTIS-UHFFFAOYSA-N
MW239.25 g/mol
LogP-0.14
Rot. Bonds4

About 2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide

2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide (PubChem CID 83624523) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide
PubChem CID83624523
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide
SMILESCN(C(=O)CNC(=O)CN)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2/c1-15(9-4-2-8(12)3-5-9)11(17)7-14-10(16)6-13/h2-5H,6-7,13H2,1H3,(H,14,16)
InChIKeyNGZURCGGOHWTIS-UHFFFAOYSA-N
XLogP-0.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide (CID 83624523) is 2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide is CN(C(=O)CNC(=O)CN)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is NGZURCGGOHWTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-15(9-4-2-8(12)3-5-9)11(17)7-14-10(16)6-13/h2-5H,6-7,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide?
2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 239.25 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 83624523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).