N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C21H21N3O2 — CID 27644488

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H21N3O2/c25-20-6-3-13-24(20)17-9-7-15(8-10-17)21(26)22-12-11-16-14-23-19-5-2-1-4-18(16)19/h1-2,4-5,7-10,14,23H,3,6,11-13H2,(H,22,26)
InChIKeyLHZNEOXFLFJROX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 27644488) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID27644488
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H21N3O2/c25-20-6-3-13-24(20)17-9-7-15(8-10-17)21(26)22-12-11-16-14-23-19-5-2-1-4-18(16)19/h1-2,4-5,7-10,14,23H,3,6,11-13H2,(H,22,26)
InChIKeyLHZNEOXFLFJROX-UHFFFAOYSA-N
XLogP3.27
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043503
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044889
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 91955063
N-[2-(1H-indol-3-yl)ethyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 22522083
1-ethyl-3-[3-(1H-indol-3-yl)propyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111753406
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
(5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione
CID 39968933
N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 1272760

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 27644488) is N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LHZNEOXFLFJROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20-6-3-13-24(20)17-9-7-15(8-10-17)21(26)22-12-11-16-14-23-19-5-2-1-4-18(16)19/h1-2,4-5,7-10,14,23H,3,6,11-13H2,(H,22,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 27644488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).