[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate

C20H17FN2O3 — CID 169244423

IUPAC[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
SMILESO=C(ON1CCC[C@@H]1C(=O)c1c[nH]c2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C20H17FN2O3/c21-14-8-9-17-15(11-14)16(12-22-17)19(24)18-7-4-10-23(18)26-20(25)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,18,22H,4,7,10H2/t18-/m1/s1
InChIKeyVGADHIGDZQLIRW-GOSISDBHSA-N
MW352.37 g/mol
LogP3.73
Rot. Bonds4

About [(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate

[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate (PubChem CID 169244423) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is [(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate.

Molecular Properties

Compound Name[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
PubChem CID169244423
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
SMILESO=C(ON1CCC[C@@H]1C(=O)c1c[nH]c2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C20H17FN2O3/c21-14-8-9-17-15(11-14)16(12-22-17)19(24)18-7-4-10-23(18)26-20(25)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,18,22H,4,7,10H2/t18-/m1/s1
InChIKeyVGADHIGDZQLIRW-GOSISDBHSA-N
XLogP3.73
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxy-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
CID 169244455
1-[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 175554389
[(2S)-2-(4-phenylmethoxy-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
CID 156821019
(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 138596030
(2-carbamoylpyrrolidin-1-yl) benzoate
CID 126553018
(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972
benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 54543425
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone
CID 22967081
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate?
The IUPAC name of [(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate (CID 169244423) is [(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate.
What is the SMILES notation for [(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate?
The canonical SMILES for [(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate is O=C(ON1CCC[C@@H]1C(=O)c1c[nH]c2ccc(F)cc12)c1ccccc1.
What is the InChIKey of [(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate?
The InChIKey is VGADHIGDZQLIRW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-14-8-9-17-15(11-14)16(12-22-17)19(24)18-7-4-10-23(18)26-20(25)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,18,22H,4,7,10H2/t18-/m1/s1.
What are the key properties of [(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate?
[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate has a molecular weight of 352.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate is sourced from PubChem (CID 169244423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).