[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C28H24FNO3 — CID 2478158

IUPAC[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(c1c[nH]c2ccccc12)[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1
InChIInChI=1S/C28H24FNO3/c29-21-12-8-11-20(17-21)28(15-6-7-16-28)27(32)33-26(19-9-2-1-3-10-19)25(31)23-18-30-24-14-5-4-13-22(23)24/h1-5,8-14,17-18,26,30H,6-7,15-16H2/t26-/m0/s1
InChIKeySIWJQHNCCWHAQY-SANMLTNESA-N
MW441.50 g/mol
LogP6.29
Rot. Bonds6

About [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2478158) has the molecular formula C28H24FNO3 and a molecular weight of 441.50 g/mol. Its IUPAC name is [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2478158
Molecular FormulaC28H24FNO3
Molecular Weight441.50 g/mol
Exact Mass441.17
IUPAC Name[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(c1c[nH]c2ccccc12)[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1
InChIInChI=1S/C28H24FNO3/c29-21-12-8-11-20(17-21)28(15-6-7-16-28)27(32)33-26(19-9-2-1-3-10-19)25(31)23-18-30-24-14-5-4-13-22(23)24/h1-5,8-14,17-18,26,30H,6-7,15-16H2/t26-/m0/s1
InChIKeySIWJQHNCCWHAQY-SANMLTNESA-N
XLogP6.29
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
CID 3574939
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] adamantane-1-carboxylate
CID 3911430
(2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 23769015
trans-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019706
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 4571389
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 5002393
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 16540197
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 9406892
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(difluoromethoxy)benzoate
CID 4537879
[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385767
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 135797195

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 2478158) is [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is O=C(c1c[nH]c2ccccc12)[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1.
What is the InChIKey of [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is SIWJQHNCCWHAQY-SANMLTNESA-N. The full InChI is InChI=1S/C28H24FNO3/c29-21-12-8-11-20(17-21)28(15-6-7-16-28)27(32)33-26(19-9-2-1-3-10-19)25(31)23-18-30-24-14-5-4-13-22(23)24/h1-5,8-14,17-18,26,30H,6-7,15-16H2/t26-/m0/s1.
What are the key properties of [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 441.50 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2478158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).