ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate

C18H18FNO4 — CID 7695121

IUPACethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
SMILESCCOC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H18FNO4/c1-3-23-18(22)13-7-6-8-14(11-13)24-12(2)17(21)20-16-10-5-4-9-15(16)19/h4-12H,3H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyRZJVAUOOPDIPEB-GFCCVEGCSA-N
MW331.34 g/mol
LogP3.41
Rot. Bonds6

About ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate

ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 7695121) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Nameethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
PubChem CID7695121
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Nameethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
SMILESCCOC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H18FNO4/c1-3-23-18(22)13-7-6-8-14(11-13)24-12(2)17(21)20-16-10-5-4-9-15(16)19/h4-12H,3H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyRZJVAUOOPDIPEB-GFCCVEGCSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8890406
ethyl 3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78659294
ethyl 3-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8890418
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
ethyl 3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8538255
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931375
ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate
CID 8890433
diethyl 5-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylate
CID 8740613
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate
CID 17034409
N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 156704842

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate (CID 7695121) is ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate is CCOC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccccc2F)c1.
What is the InChIKey of ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is RZJVAUOOPDIPEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-3-23-18(22)13-7-6-8-14(11-13)24-12(2)17(21)20-16-10-5-4-9-15(16)19/h4-12H,3H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate?
ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 331.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 7695121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).