2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide

C13H19FN4O2 — CID 62922758

IUPAC2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESCC(N)C(c1cccc(F)c1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C13H19FN4O2/c1-8(15)13(9-3-2-4-10(14)5-9)18(6-11(16)19)7-12(17)20/h2-5,8,13H,6-7,15H2,1H3,(H2,16,19)(H2,17,20)
InChIKeyRMPDXGWOOZDZJL-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.51
Rot. Bonds7

About 2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide

2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 62922758) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID62922758
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESCC(N)C(c1cccc(F)c1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C13H19FN4O2/c1-8(15)13(9-3-2-4-10(14)5-9)18(6-11(16)19)7-12(17)20/h2-5,8,13H,6-7,15H2,1H3,(H2,16,19)(H2,17,20)
InChIKeyRMPDXGWOOZDZJL-UHFFFAOYSA-N
XLogP-0.51
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide (CID 62922758) is 2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide is CC(N)C(c1cccc(F)c1)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is RMPDXGWOOZDZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-8(15)13(9-3-2-4-10(14)5-9)18(6-11(16)19)7-12(17)20/h2-5,8,13H,6-7,15H2,1H3,(H2,16,19)(H2,17,20).
What are the key properties of 2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide?
2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 282.32 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 62922758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).