[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate

C19H18FNO4 — CID 8552631

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-13(22)16-4-2-3-5-17(16)21-18(23)12-25-19(24)11-8-14-6-9-15(20)10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,21,23)
InChIKeyHSGFFYGZKJVVQE-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.14
Rot. Bonds7

About [2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate

[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate (PubChem CID 8552631) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
PubChem CID8552631
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-13(22)16-4-2-3-5-17(16)21-18(23)12-25-19(24)11-8-14-6-9-15(20)10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,21,23)
InChIKeyHSGFFYGZKJVVQE-UHFFFAOYSA-N
XLogP3.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 27058522
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841781
methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 2390831
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272402
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8551549
methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
CID 8551955
[2-(2-acetylanilino)-2-oxoethyl] (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
CID 95633571
[2-(2-methylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8506708
2-methylprop-2-enyl 3-(4-fluorophenyl)propanoate
CID 78833084
[2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
CID 2420330

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate (CID 8552631) is [2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate is CC(=O)c1ccccc1NC(=O)COC(=O)CCc1ccc(F)cc1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
The InChIKey is HSGFFYGZKJVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-13(22)16-4-2-3-5-17(16)21-18(23)12-25-19(24)11-8-14-6-9-15(20)10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,21,23).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate has a molecular weight of 343.35 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 8552631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).