[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate

C23H20FNO5 — CID 7486928

IUPAC[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1
InChIInChI=1S/C23H20FNO5/c1-28-18-12-13-20(29-2)19(14-18)23(27)30-21(15-6-4-3-5-7-15)22(26)25-17-10-8-16(24)9-11-17/h3-14,21H,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyCLUZHDOVKGFHHL-OAQYLSRUSA-N
MW409.41 g/mol
LogP4.38
Rot. Bonds7

About [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate (PubChem CID 7486928) has the molecular formula C23H20FNO5 and a molecular weight of 409.41 g/mol. Its IUPAC name is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
PubChem CID7486928
Molecular FormulaC23H20FNO5
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1
InChIInChI=1S/C23H20FNO5/c1-28-18-12-13-20(29-2)19(14-18)23(27)30-21(15-6-4-3-5-7-15)22(26)25-17-10-8-16(24)9-11-17/h3-14,21H,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyCLUZHDOVKGFHHL-OAQYLSRUSA-N
XLogP4.38
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate with MolForge

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Related Compounds

[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-methoxynaphthalene-2-carboxylate
CID 4104730
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(difluoromethoxy)-3-methoxybenzoate
CID 55326258
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646842
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate
CID 2646591
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,3-dimethoxybenzoate
CID 2515766
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-methylfuran-3-carboxylate
CID 7663789
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7561093
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609750
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 2515095
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7504677
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 46795202

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate?
The IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate (CID 7486928) is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate?
The canonical SMILES for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate?
The InChIKey is CLUZHDOVKGFHHL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20FNO5/c1-28-18-12-13-20(29-2)19(14-18)23(27)30-21(15-6-4-3-5-7-15)22(26)25-17-10-8-16(24)9-11-17/h3-14,21H,1-2H3,(H,25,26)/t21-/m1/s1.
What are the key properties of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate?
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate has a molecular weight of 409.41 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 7486928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).