3-[(2-fluoroacetyl)amino]propanamide

C5H9FN2O2 — CID 57178677

IUPAC3-[(2-fluoroacetyl)amino]propanamide
SMILESNC(=O)CCNC(=O)CF
InChIInChI=1S/C5H9FN2O2/c6-3-5(10)8-2-1-4(7)9/h1-3H2,(H2,7,9)(H,8,10)
InChIKeyQLYGAACTGWNSPV-UHFFFAOYSA-N
MW148.14 g/mol
LogP-1.05
Rot. Bonds4

About 3-[(2-fluoroacetyl)amino]propanamide

3-[(2-fluoroacetyl)amino]propanamide (PubChem CID 57178677) has the molecular formula C5H9FN2O2 and a molecular weight of 148.14 g/mol. Its IUPAC name is 3-[(2-fluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name3-[(2-fluoroacetyl)amino]propanamide
PubChem CID57178677
Molecular FormulaC5H9FN2O2
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC Name3-[(2-fluoroacetyl)amino]propanamide
SMILESNC(=O)CCNC(=O)CF
InChIInChI=1S/C5H9FN2O2/c6-3-5(10)8-2-1-4(7)9/h1-3H2,(H2,7,9)(H,8,10)
InChIKeyQLYGAACTGWNSPV-UHFFFAOYSA-N
XLogP-1.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
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N-(3-acetamidopropyl)acetamide
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N-(3-aminopropyl)-2,2,2-trifluoroacetamide hydrochloride
CID 71752754
3,3'-Iminobispropanamide
CID 11024668
N,N'-(Iminodi-3,1-propanediyl)bis[2,2,2-trifluoroacetamide]
CID 11676468
2,2,2-trifluoro-N-(3-(methylamino)propyl)acetamide
CID 58587431
3,3-Difluoro-1,5-diazocan-2-one
CID 132398589
N-(2-(dimethylcarbamoyl)ethyl)-N-methyl-3-(methylamino)propanamide
CID 155943543
2-fluoro-N-(2-fluoroethyl)-propionamide
CID 76225547
15-Fluoro-1,4,7,10,13-pentazacyclohexadecane-14,16-dione
CID 85685502
N,N'-diethylpropanediamide
CID 4600245
N-ethylpropanediamide
CID 14686248

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoroacetyl)amino]propanamide?
The IUPAC name of 3-[(2-fluoroacetyl)amino]propanamide (CID 57178677) is 3-[(2-fluoroacetyl)amino]propanamide.
What is the SMILES notation for 3-[(2-fluoroacetyl)amino]propanamide?
The canonical SMILES for 3-[(2-fluoroacetyl)amino]propanamide is NC(=O)CCNC(=O)CF.
What is the InChIKey of 3-[(2-fluoroacetyl)amino]propanamide?
The InChIKey is QLYGAACTGWNSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O2/c6-3-5(10)8-2-1-4(7)9/h1-3H2,(H2,7,9)(H,8,10).
What are the key properties of 3-[(2-fluoroacetyl)amino]propanamide?
3-[(2-fluoroacetyl)amino]propanamide has a molecular weight of 148.14 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoroacetyl)amino]propanamide is sourced from PubChem (CID 57178677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).