[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate

C24H18FNO3 — CID 3574939

IUPAC[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C24H18FNO3/c25-18-12-10-16(11-13-18)14-22(27)29-24(17-6-2-1-3-7-17)23(28)20-15-26-21-9-5-4-8-19(20)21/h1-13,15,24,26H,14H2
InChIKeyMCWNQWRNAUUJBU-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.02
Rot. Bonds6

About [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate (PubChem CID 3574939) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
PubChem CID3574939
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C24H18FNO3/c25-18-12-10-16(11-13-18)14-22(27)29-24(17-6-2-1-3-7-17)23(28)20-15-26-21-9-5-4-8-19(20)21/h1-13,15,24,26H,14H2
InChIKeyMCWNQWRNAUUJBU-UHFFFAOYSA-N
XLogP5.02
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 5002393
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594
(2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate
CID 140889277
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate
CID 18205599
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 16540197
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3282092
trans-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019706
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(difluoromethoxy)benzoate
CID 4537879
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2478158
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 4571389

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate (CID 3574939) is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate is O=C(Cc1ccc(F)cc1)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is MCWNQWRNAUUJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c25-18-12-10-16(11-13-18)14-22(27)29-24(17-6-2-1-3-7-17)23(28)20-15-26-21-9-5-4-8-19(20)21/h1-13,15,24,26H,14H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate?
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 387.41 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 3574939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).