[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate

C23H19ClFNO3 — CID 42968519

IUPAC[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCC(OC(=O)Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H19ClFNO3/c1-15(29-22(27)14-18-19(24)11-7-12-20(18)25)23(28)26-21-13-6-5-10-17(21)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyWVLPREIYZZTHHV-UHFFFAOYSA-N
MW411.86 g/mol
LogP5.26
Rot. Bonds6

About [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate

[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 42968519) has the molecular formula C23H19ClFNO3 and a molecular weight of 411.86 g/mol. Its IUPAC name is [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID42968519
Molecular FormulaC23H19ClFNO3
Molecular Weight411.86 g/mol
Exact Mass411.10
IUPAC Name[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCC(OC(=O)Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H19ClFNO3/c1-15(29-22(27)14-18-19(24)11-7-12-20(18)25)23(28)26-21-13-6-5-10-17(21)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyWVLPREIYZZTHHV-UHFFFAOYSA-N
XLogP5.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.86
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718260
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 55417653
[1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16523065
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 8871605
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847274
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718196
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718197
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767167
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 8013529
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791471
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
CID 7980293
[1-oxo-1-(2-phenylanilino)propan-2-yl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 42969092

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate (CID 42968519) is [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate is CC(OC(=O)Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is WVLPREIYZZTHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO3/c1-15(29-22(27)14-18-19(24)11-7-12-20(18)25)23(28)26-21-13-6-5-10-17(21)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,26,28).
What are the key properties of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate?
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 411.86 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 42968519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).