[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate

C16H14FNO3 — CID 2516964

IUPAC[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
SMILESC[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-11(21-16(20)12-7-3-2-4-8-12)15(19)18-14-10-6-5-9-13(14)17/h2-11H,1H3,(H,18,19)/t11-/m1/s1
InChIKeyBADZRMJYDGGDIQ-LLVKDONJSA-N
MW287.29 g/mol
LogP3.01
Rot. Bonds4

About [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate (PubChem CID 2516964) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate.

Molecular Properties

Compound Name[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
PubChem CID2516964
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
SMILESC[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-11(21-16(20)12-7-3-2-4-8-12)15(19)18-14-10-6-5-9-13(14)17/h2-11H,1H3,(H,18,19)/t11-/m1/s1
InChIKeyBADZRMJYDGGDIQ-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

Analyze [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606399
[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 23831746
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7669485
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 7796422
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 2518669
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
(2S,3R)-2,3-dibenzoyloxy-4-(2-fluoroanilino)-4-oxobutanoic acid
CID 41301415
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(2,2-dimethylpropanoylamino)benzoate
CID 55541712
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7960663
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477385
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580103
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2599918

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate?
The IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate (CID 2516964) is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate.
What is the SMILES notation for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate?
The canonical SMILES for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate is C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate?
The InChIKey is BADZRMJYDGGDIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-11(21-16(20)12-7-3-2-4-8-12)15(19)18-14-10-6-5-9-13(14)17/h2-11H,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate?
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate 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-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate is sourced from PubChem (CID 2516964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).