[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate

C16H14FNO3 — CID 2523840

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
SMILESC[C@@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H14FNO3/c1-11(15(19)18-14-8-3-2-4-9-14)21-16(20)12-6-5-7-13(17)10-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1
InChIKeyWJUYEKXYBCKVAA-LLVKDONJSA-N
MW287.29 g/mol
LogP3.01
Rot. Bonds4

About [(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate

[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate (PubChem CID 2523840) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
PubChem CID2523840
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
SMILESC[C@@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H14FNO3/c1-11(15(19)18-14-8-3-2-4-9-14)21-16(20)12-6-5-7-13(17)10-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1
InChIKeyWJUYEKXYBCKVAA-LLVKDONJSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8612332
[(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523892
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8868567
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842363
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483604
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3-fluorobenzoate
CID 8612340
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate
CID 8803967
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(propan-2-ylsulfamoyl)benzoate
CID 55422213
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065135
[(2R)-1-anilino-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 26002721
2-O-[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505644

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate (CID 2523840) is [(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate is C[C@@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate?
The InChIKey is WJUYEKXYBCKVAA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-11(15(19)18-14-8-3-2-4-9-14)21-16(20)12-6-5-7-13(17)10-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate?
[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate has a molecular weight of 287.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate is sourced from PubChem (CID 2523840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).