[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate

C18H16FNO4 — CID 24686549

IUPAC[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
SMILESCC(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H16FNO4/c1-11(21)13-7-9-14(10-8-13)20-17(22)12(2)24-18(23)15-5-3-4-6-16(15)19/h3-10,12H,1-2H3,(H,20,22)
InChIKeyDDKRTXVBSNCSDT-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.21
Rot. Bonds5

About [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate

[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate (PubChem CID 24686549) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate.

Molecular Properties

Compound Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
PubChem CID24686549
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
SMILESCC(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H16FNO4/c1-11(21)13-7-9-14(10-8-13)20-17(22)12(2)24-18(23)15-5-3-4-6-16(15)19/h3-10,12H,1-2H3,(H,20,22)
InChIKeyDDKRTXVBSNCSDT-UHFFFAOYSA-N
XLogP3.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate with MolForge

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508676
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508540
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8629680
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-fluorobenzoate
CID 7864203
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8649381
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-chloro-4,5-difluorobenzoate
CID 2565729
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenyl)benzoate
CID 7522056
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenyl)benzoate
CID 7522074
[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate
CID 55442333
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(S)-ethylsulfinyl]benzoate
CID 11908143
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-fluorobenzoate
CID 7782049
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508657

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate?
The IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate (CID 24686549) is [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate.
What is the SMILES notation for [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate?
The canonical SMILES for [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate is CC(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccccc2F)cc1.
What is the InChIKey of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate?
The InChIKey is DDKRTXVBSNCSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-11(21)13-7-9-14(10-8-13)20-17(22)12(2)24-18(23)15-5-3-4-6-16(15)19/h3-10,12H,1-2H3,(H,20,22).
What are the key properties of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate?
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate has a molecular weight of 329.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate is sourced from PubChem (CID 24686549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).