4-acetamido-4-(4-fluorophenyl)butanoic acid

C12H14FNO3 — CID 110671651

IUPAC4-acetamido-4-(4-fluorophenyl)butanoic acid
SMILESCC(=O)NC(CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c1-8(15)14-11(6-7-12(16)17)9-2-4-10(13)5-3-9/h2-5,11H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyANXORNBYYGTDBC-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.87
Rot. Bonds5

About 4-acetamido-4-(4-fluorophenyl)butanoic acid

4-acetamido-4-(4-fluorophenyl)butanoic acid (PubChem CID 110671651) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-acetamido-4-(4-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name4-acetamido-4-(4-fluorophenyl)butanoic acid
PubChem CID110671651
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name4-acetamido-4-(4-fluorophenyl)butanoic acid
SMILESCC(=O)NC(CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c1-8(15)14-11(6-7-12(16)17)9-2-4-10(13)5-3-9/h2-5,11H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyANXORNBYYGTDBC-UHFFFAOYSA-N
XLogP1.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide
CID 139050394
4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid
CID 110671683
4-(4-fluorophenyl)-4-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 110671680
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201110
N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide
CID 10382046
N-(4-oxo-1,4-diphenylbutyl)acetamide
CID 13252857
4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid
CID 141006930
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid
CID 110671710
4-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-phenylbutanoic acid
CID 119201409
N-[3-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxopropyl]acetamide
CID 44561095
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-4-(4-fluorophenyl)butanoic acid?
The IUPAC name of 4-acetamido-4-(4-fluorophenyl)butanoic acid (CID 110671651) is 4-acetamido-4-(4-fluorophenyl)butanoic acid.
What is the SMILES notation for 4-acetamido-4-(4-fluorophenyl)butanoic acid?
The canonical SMILES for 4-acetamido-4-(4-fluorophenyl)butanoic acid is CC(=O)NC(CCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-acetamido-4-(4-fluorophenyl)butanoic acid?
The InChIKey is ANXORNBYYGTDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8(15)14-11(6-7-12(16)17)9-2-4-10(13)5-3-9/h2-5,11H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-acetamido-4-(4-fluorophenyl)butanoic acid?
4-acetamido-4-(4-fluorophenyl)butanoic acid has a molecular weight of 239.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-4-(4-fluorophenyl)butanoic acid is sourced from PubChem (CID 110671651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).