N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide

C22H22FN3O2 — CID 42288017

IUPACN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C[C@H]3CCC(=O)N3)cc12
InChIInChI=1S/C22H22FN3O2/c1-13-17-10-14(12-24-21(28)11-15-7-9-20(27)25-15)6-8-19(17)26-22(13)16-4-2-3-5-18(16)23/h2-6,8,10,15,26H,7,9,11-12H2,1H3,(H,24,28)(H,25,27)/t15-/m1/s1
InChIKeyAQILEWPHTHHUOG-OAHLLOKOSA-N
MW379.44 g/mol
LogP3.57
Rot. Bonds5

About N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide (PubChem CID 42288017) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
PubChem CID42288017
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C[C@H]3CCC(=O)N3)cc12
InChIInChI=1S/C22H22FN3O2/c1-13-17-10-14(12-24-21(28)11-15-7-9-20(27)25-15)6-8-19(17)26-22(13)16-4-2-3-5-18(16)23/h2-6,8,10,15,26H,7,9,11-12H2,1H3,(H,24,28)(H,25,27)/t15-/m1/s1
InChIKeyAQILEWPHTHHUOG-OAHLLOKOSA-N
XLogP3.57
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.57
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]pyrrolidine-2-carboxamide
CID 70730908
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide
CID 56874713
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
CID 56864638
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 56862846
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42525375
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 26330947
2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide
CID 175822055
2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine
CID 56876919
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 56874111
5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727360
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937973
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 119754604

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide (CID 42288017) is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide is Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C[C@H]3CCC(=O)N3)cc12.
What is the InChIKey of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
The InChIKey is AQILEWPHTHHUOG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-13-17-10-14(12-24-21(28)11-15-7-9-20(27)25-15)6-8-19(17)26-22(13)16-4-2-3-5-18(16)23/h2-6,8,10,15,26H,7,9,11-12H2,1H3,(H,24,28)(H,25,27)/t15-/m1/s1.
What are the key properties of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.57, 5 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]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide is sourced from PubChem (CID 42288017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).