[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate

C23H18FNO4 — CID 2606399

IUPAC[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SMILESC[C@@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C23H18FNO4/c1-15(22(27)25-20-10-6-5-9-19(20)24)29-23(28)18-13-11-17(12-14-18)21(26)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,27)/t15-/m1/s1
InChIKeyYBMVLDPQNJFTEX-OAHLLOKOSA-N
MW391.40 g/mol
LogP4.24
Rot. Bonds6

About [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate (PubChem CID 2606399) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
PubChem CID2606399
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Name[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SMILESC[C@@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C23H18FNO4/c1-15(22(27)25-20-10-6-5-9-19(20)24)29-23(28)18-13-11-17(12-14-18)21(26)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,27)/t15-/m1/s1
InChIKeyYBMVLDPQNJFTEX-OAHLLOKOSA-N
XLogP4.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
CID 2516964
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7669485
[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 23831746
[(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)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580103
(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
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42987263
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7960663
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate
CID 8629846

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate?
The IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate (CID 2606399) is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate.
What is the SMILES notation for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate?
The canonical SMILES for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate is C[C@@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate?
The InChIKey is YBMVLDPQNJFTEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H18FNO4/c1-15(22(27)25-20-10-6-5-9-19(20)24)29-23(28)18-13-11-17(12-14-18)21(26)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,27)/t15-/m1/s1.
What are the key properties of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate?
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate has a molecular weight of 391.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate is sourced from PubChem (CID 2606399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).