[2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone

C19H17FN2O — CID 71428478

IUPAC[2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc2[nH]c(-c3ccc(F)cc3)cc12)N1CCCC1
InChIInChI=1S/C19H17FN2O/c20-14-8-6-13(7-9-14)18-12-16-15(4-3-5-17(16)21-18)19(23)22-10-1-2-11-22/h3-9,12,21H,1-2,10-11H2
InChIKeyLDYIFXTZIKECND-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.21
Rot. Bonds2

About [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone

[2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71428478) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID71428478
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name[2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc2[nH]c(-c3ccc(F)cc3)cc12)N1CCCC1
InChIInChI=1S/C19H17FN2O/c20-14-8-6-13(7-9-14)18-12-16-15(4-3-5-17(16)21-18)19(23)22-10-1-2-11-22/h3-9,12,21H,1-2,10-11H2
InChIKeyLDYIFXTZIKECND-UHFFFAOYSA-N
XLogP4.21
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
4-(azepane-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 24539720
(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
(4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone
CID 22518265
azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
CID 167907926
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone (CID 71428478) is [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cccc2[nH]c(-c3ccc(F)cc3)cc12)N1CCCC1.
What is the InChIKey of [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LDYIFXTZIKECND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-14-8-6-13(7-9-14)18-12-16-15(4-3-5-17(16)21-18)19(23)22-10-1-2-11-22/h3-9,12,21H,1-2,10-11H2.
What are the key properties of [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone?
[2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 308.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71428478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).