N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide

C21H22FN3O — CID 70730908

IUPACN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C3CCCN3)cc12
InChIInChI=1S/C21H22FN3O/c1-13-16-11-14(12-24-21(26)19-7-4-10-23-19)8-9-18(16)25-20(13)15-5-2-3-6-17(15)22/h2-3,5-6,8-9,11,19,23,25H,4,7,10,12H2,1H3,(H,24,26)
InChIKeyAFFIVWPUAZADNA-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.65
Rot. Bonds4

About N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 70730908) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID70730908
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C3CCCN3)cc12
InChIInChI=1S/C21H22FN3O/c1-13-16-11-14(12-24-21(26)19-7-4-10-23-19)8-9-18(16)25-20(13)15-5-2-3-6-17(15)22/h2-3,5-6,8-9,11,19,23,25H,4,7,10,12H2,1H3,(H,24,26)
InChIKeyAFFIVWPUAZADNA-UHFFFAOYSA-N
XLogP3.65
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 42288017
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
CID 56864638
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 56862846
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42525375
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
N-[(3-chloro-4-fluorophenyl)methyl]azepane-2-carboxamide
CID 64568354

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 70730908) is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide is Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C3CCCN3)cc12.
What is the InChIKey of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is AFFIVWPUAZADNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-13-16-11-14(12-24-21(26)19-7-4-10-23-19)8-9-18(16)25-20(13)15-5-2-3-6-17(15)22/h2-3,5-6,8-9,11,19,23,25H,4,7,10,12H2,1H3,(H,24,26).
What are the key properties of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide?
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70730908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).