2-acetamido-N-(2-fluoroethyl)propanamide

C7H13FN2O2 — CID 91190233

IUPAC2-acetamido-N-(2-fluoroethyl)propanamide
SMILESCC(=O)NC(C)C(=O)NCCF
InChIInChI=1S/C7H13FN2O2/c1-5(10-6(2)11)7(12)9-4-3-8/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyJPTGALBWTJYNQW-UHFFFAOYSA-N
MW176.19 g/mol
LogP-0.40
Rot. Bonds4

About 2-acetamido-N-(2-fluoroethyl)propanamide

2-acetamido-N-(2-fluoroethyl)propanamide (PubChem CID 91190233) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-acetamido-N-(2-fluoroethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-fluoroethyl)propanamide
PubChem CID91190233
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name2-acetamido-N-(2-fluoroethyl)propanamide
SMILESCC(=O)NC(C)C(=O)NCCF
InChIInChI=1S/C7H13FN2O2/c1-5(10-6(2)11)7(12)9-4-3-8/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyJPTGALBWTJYNQW-UHFFFAOYSA-N
XLogP-0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid
CID 90216384
2-(2-acetamidopropanoylamino)ethylcarbamic acid
CID 19805667
(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
CID 102305580
2-acetamido-N-(4-methylpentyl)propanamide
CID 134023295
2-acetamido-N-(2-hydroxypropyl)propanamide
CID 43392742
2-acetamido-N-(4,4-dimethylpentyl)propanamide
CID 162466533
N-(2-fluoroethyl)-2-hydroxypropanamide
CID 130657561
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium
CID 140645046
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71351346

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-fluoroethyl)propanamide?
The IUPAC name of 2-acetamido-N-(2-fluoroethyl)propanamide (CID 91190233) is 2-acetamido-N-(2-fluoroethyl)propanamide.
What is the SMILES notation for 2-acetamido-N-(2-fluoroethyl)propanamide?
The canonical SMILES for 2-acetamido-N-(2-fluoroethyl)propanamide is CC(=O)NC(C)C(=O)NCCF.
What is the InChIKey of 2-acetamido-N-(2-fluoroethyl)propanamide?
The InChIKey is JPTGALBWTJYNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c1-5(10-6(2)11)7(12)9-4-3-8/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 2-acetamido-N-(2-fluoroethyl)propanamide?
2-acetamido-N-(2-fluoroethyl)propanamide has a molecular weight of 176.19 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-fluoroethyl)propanamide is sourced from PubChem (CID 91190233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).