[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate

C24H22FNO4 — CID 7759131

IUPAC[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22FNO4/c1-17(30-23(27)15-18-7-9-20(25)10-8-18)24(28)26-21-11-13-22(14-12-21)29-16-19-5-3-2-4-6-19/h2-14,17H,15-16H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyLAVUHWLVPHIWKN-QGZVFWFLSA-N
MW407.44 g/mol
LogP4.52
Rot. Bonds8

About [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate

[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate (PubChem CID 7759131) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate
PubChem CID7759131
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22FNO4/c1-17(30-23(27)15-18-7-9-20(25)10-8-18)24(28)26-21-11-13-22(14-12-21)29-16-19-5-3-2-4-6-19/h2-14,17H,15-16H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyLAVUHWLVPHIWKN-QGZVFWFLSA-N
XLogP4.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767300
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] (3S)-3-phenylbutanoate
CID 7227844
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 8671911
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2,6-difluorobenzoate
CID 7725700
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874817
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 8632858
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553372

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate (CID 7759131) is [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate is C[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate?
The InChIKey is LAVUHWLVPHIWKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22FNO4/c1-17(30-23(27)15-18-7-9-20(25)10-8-18)24(28)26-21-11-13-22(14-12-21)29-16-19-5-3-2-4-6-19/h2-14,17H,15-16H2,1H3,(H,26,28)/t17-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate?
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate has a molecular weight of 407.44 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 7759131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).