[1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone

C22H21FN2O2 — CID 71595667

IUPAC[1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone
SMILESC=C(O)C1CCCN1C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H21FN2O2/c1-15(26)20-7-4-12-25(20)22(27)19-14-24(21-6-3-2-5-18(19)21)13-16-8-10-17(23)11-9-16/h2-3,5-6,8-11,14,20,26H,1,4,7,12-13H2
InChIKeyUULHUUDVJOHIFX-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.51
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone

[1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone (PubChem CID 71595667) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone
PubChem CID71595667
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name[1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone
SMILESC=C(O)C1CCCN1C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H21FN2O2/c1-15(26)20-7-4-12-25(20)22(27)19-14-24(21-6-3-2-5-18(19)21)13-16-8-10-17(23)11-9-16/h2-3,5-6,8-11,14,20,26H,1,4,7,12-13H2
InChIKeyUULHUUDVJOHIFX-UHFFFAOYSA-N
XLogP4.51
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone (CID 71595667) is [1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone is C=C(O)C1CCCN1C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone?
The InChIKey is UULHUUDVJOHIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-15(26)20-7-4-12-25(20)22(27)19-14-24(21-6-3-2-5-18(19)21)13-16-8-10-17(23)11-9-16/h2-3,5-6,8-11,14,20,26H,1,4,7,12-13H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone?
[1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone has a molecular weight of 364.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71595667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).