2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide

C13H17FN2O2 — CID 75581237

IUPAC2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)NCCF
InChIInChI=1S/C13H17FN2O2/c1-10(17)16-12(13(18)15-8-7-14)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyVJYBGEMHBQRULP-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.82
Rot. Bonds6

About 2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide

2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide (PubChem CID 75581237) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
PubChem CID75581237
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)NCCF
InChIInChI=1S/C13H17FN2O2/c1-10(17)16-12(13(18)15-8-7-14)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyVJYBGEMHBQRULP-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-N-(4-aminobutyl)-3-phenylpropanamide
CID 156899646
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
(2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide
CID 167860964
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
(2R)-2-amino-N-[(2S)-1-[2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 10841941
N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide
CID 92529724
2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 71463173
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide?
The IUPAC name of 2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide (CID 75581237) is 2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide?
The canonical SMILES for 2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide is CC(=O)NC(Cc1ccccc1)C(=O)NCCF.
What is the InChIKey of 2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide?
The InChIKey is VJYBGEMHBQRULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-10(17)16-12(13(18)15-8-7-14)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide?
2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide has a molecular weight of 252.29 g/mol, XLogP of 0.82, 6 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)-3-phenylpropanamide is sourced from PubChem (CID 75581237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).