3-acetamido-N-[(4-fluorophenyl)methyl]propanamide

C12H15FN2O2 — CID 2105511

IUPAC3-acetamido-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(=O)NCCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-9(16)14-7-6-12(17)15-8-10-2-4-11(13)5-3-10/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyKNNQASDDZDBVBE-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.97
Rot. Bonds5

About 3-acetamido-N-[(4-fluorophenyl)methyl]propanamide

3-acetamido-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 2105511) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-acetamido-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID2105511
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-acetamido-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(=O)NCCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-9(16)14-7-6-12(17)15-8-10-2-4-11(13)5-3-10/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyKNNQASDDZDBVBE-UHFFFAOYSA-N
XLogP0.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Beclamide
CID 10391
N-(2-phenylethyl)acetamide
CID 70143
Amylase
CID 71475145
Myramistin
CID 72949
N-Benzylacetamide
CID 11500
n,n'-Dibenzylmalonamide
CID 735256
N-(2-Phenylethyl)propanamide
CID 94894
N-Benzylacrylamide
CID 139428
N-benzyl-2-bromoacetamide
CID 145664
N-benzyl-2-cyanoacetamide
CID 668298
N-(2-Phenylethyl)-isobutyramide
CID 290550
Acetoacetobenzylamide
CID 70159

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-acetamido-N-[(4-fluorophenyl)methyl]propanamide (CID 2105511) is 3-acetamido-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[(4-fluorophenyl)methyl]propanamide is CC(=O)NCCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-acetamido-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is KNNQASDDZDBVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-9(16)14-7-6-12(17)15-8-10-2-4-11(13)5-3-10/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-acetamido-N-[(4-fluorophenyl)methyl]propanamide?
3-acetamido-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 238.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 2105511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).