[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate

C23H21FN2O4 — CID 7149565

IUPAC[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C23H21FN2O4/c1-16(23(28)26-21-10-6-5-9-20(21)24)30-22(27)15-29-19-13-11-18(12-14-19)25-17-7-3-2-4-8-17/h2-14,16,25H,15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeySZFJQZPCPHDTDC-INIZCTEOSA-N
MW408.43 g/mol
LogP4.52
Rot. Bonds8

About [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate (PubChem CID 7149565) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
PubChem CID7149565
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C23H21FN2O4/c1-16(23(28)26-21-10-6-5-9-20(21)24)30-22(27)15-29-19-13-11-18(12-14-19)25-17-7-3-2-4-8-17/h2-14,16,25H,15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeySZFJQZPCPHDTDC-INIZCTEOSA-N
XLogP4.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 42968818
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846020
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
CID 42898592
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791471
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847270
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate
CID 7149523
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
CID 7980293
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855492
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 55416666
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844131
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate?
The IUPAC name of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate (CID 7149565) is [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate.
What is the SMILES notation for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate?
The canonical SMILES for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate is C[C@H](OC(=O)COc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate?
The InChIKey is SZFJQZPCPHDTDC-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-16(23(28)26-21-10-6-5-9-20(21)24)30-22(27)15-29-19-13-11-18(12-14-19)25-17-7-3-2-4-8-17/h2-14,16,25H,15H2,1H3,(H,26,28)/t16-/m0/s1.
What are the key properties of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate?
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate has a molecular weight of 408.43 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate is sourced from PubChem (CID 7149565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).