2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide

C8H11F3N4O2 — CID 103367872

IUPAC2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide
SMILESN#CC(CN(CC(N)=O)CC(N)=O)C(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)5(1-12)2-15(3-6(13)16)4-7(14)17/h5H,2-4H2,(H2,13,16)(H2,14,17)
InChIKeyWBNLUHOERDGKNZ-UHFFFAOYSA-N
MW252.20 g/mol
LogP-1.04
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide (PubChem CID 103367872) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide
PubChem CID103367872
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide
SMILESN#CC(CN(CC(N)=O)CC(N)=O)C(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)5(1-12)2-15(3-6(13)16)4-7(14)17/h5H,2-4H2,(H2,13,16)(H2,14,17)
InChIKeyWBNLUHOERDGKNZ-UHFFFAOYSA-N
XLogP-1.04
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid
CID 103371514
2-[(2-cyano-3,3,3-trifluoropropyl)-propylamino]acetic acid
CID 103371515
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide
CID 103367792
2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid
CID 103371484
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide
CID 103367802
methyl 3-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]-2-methylpropanoate
CID 103372172
3,3,3-trifluoro-2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]propanenitrile
CID 103372199
2-[(2-amino-2-hydroxyethyl)-(2-amino-2-oxoethyl)amino]acetamide
CID 134250575
2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367843
2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide
CID 103368655
2-[(2-amino-2-oxoethyl)-(2,2-dimethoxyethyl)amino]acetamide
CID 66222350
2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
CID 60969371

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide (CID 103367872) is 2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide is N#CC(CN(CC(N)=O)CC(N)=O)C(F)(F)F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide?
The InChIKey is WBNLUHOERDGKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c9-8(10,11)5(1-12)2-15(3-6(13)16)4-7(14)17/h5H,2-4H2,(H2,13,16)(H2,14,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide has a molecular weight of 252.20 g/mol, XLogP of -1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide is sourced from PubChem (CID 103367872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).