[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate

C18H18FNO3 — CID 32915458

IUPAC[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)O[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO3/c1-12(15-5-7-16(19)8-6-15)23-18(22)11-14-3-9-17(10-4-14)20-13(2)21/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyBWVQACSGADUHGT-LBPRGKRZSA-N
MW315.34 g/mol
LogP3.63
Rot. Bonds5

About [(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate

[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 32915458) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate
PubChem CID32915458
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)O[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO3/c1-12(15-5-7-16(19)8-6-15)23-18(22)11-14-3-9-17(10-4-14)20-13(2)21/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyBWVQACSGADUHGT-LBPRGKRZSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724829
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724833
[(1R)-1-(3-nitrophenyl)ethyl] 2-(4-acetamidophenyl)acetate
CID 9060880
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8671590
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 16790462
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611022
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759131

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate (CID 32915458) is [(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)O[C@@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is BWVQACSGADUHGT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-12(15-5-7-16(19)8-6-15)23-18(22)11-14-3-9-17(10-4-14)20-13(2)21/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate?
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 315.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 32915458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).