N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C21H21N3O2 — CID 110425550

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(N4CCCC4=O)cc3)ccc2[nH]1
InChIInChI=1S/C21H21N3O2/c1-14-11-17-12-15(4-9-19(17)23-14)13-22-21(26)16-5-7-18(8-6-16)24-10-2-3-20(24)25/h4-9,11-12,23H,2-3,10,13H2,1H3,(H,22,26)
InChIKeyBVLKMIWHMQWDPX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.53
Rot. Bonds4

About N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 110425550) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID110425550
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(N4CCCC4=O)cc3)ccc2[nH]1
InChIInChI=1S/C21H21N3O2/c1-14-11-17-12-15(4-9-19(17)23-14)13-22-21(26)16-5-7-18(8-6-16)24-10-2-3-20(24)25/h4-9,11-12,23H,2-3,10,13H2,1H3,(H,22,26)
InChIKeyBVLKMIWHMQWDPX-UHFFFAOYSA-N
XLogP3.53
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110425565
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110616696
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 50944989
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 75414586
4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide
CID 56545380
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18093380
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 110425550) is N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1cc2cc(CNC(=O)c3ccc(N4CCCC4=O)cc3)ccc2[nH]1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is BVLKMIWHMQWDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-11-17-12-15(4-9-19(17)23-14)13-22-21(26)16-5-7-18(8-6-16)24-10-2-3-20(24)25/h4-9,11-12,23H,2-3,10,13H2,1H3,(H,22,26).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 110425550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).