[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate

C19H16FNO3 — CID 8612958

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H16FNO3/c1-12(24-18(22)10-13-6-8-14(20)9-7-13)19(23)16-11-21-17-5-3-2-4-15(16)17/h2-9,11-12,21H,10H2,1H3/t12-/m1/s1
InChIKeyNWZORCZWPOYUSV-GFCCVEGCSA-N
MW325.34 g/mol
LogP3.66
Rot. Bonds5

About [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate (PubChem CID 8612958) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
PubChem CID8612958
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H16FNO3/c1-12(24-18(22)10-13-6-8-14(20)9-7-13)19(23)16-11-21-17-5-3-2-4-15(16)17/h2-9,11-12,21H,10H2,1H3/t12-/m1/s1
InChIKeyNWZORCZWPOYUSV-GFCCVEGCSA-N
XLogP3.66
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8661248
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
CID 3574939
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676157
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877594
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954111
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(3-fluorophenoxy)acetate
CID 8914367
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 42900383
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 42984043
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7555308
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 30800273
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate (CID 8612958) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate is C[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate?
The InChIKey is NWZORCZWPOYUSV-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-12(24-18(22)10-13-6-8-14(20)9-7-13)19(23)16-11-21-17-5-3-2-4-15(16)17/h2-9,11-12,21H,10H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate has a molecular weight of 325.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 8612958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).