N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide

C20H17N3O3 — CID 56595719

IUPACN-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide
SMILESCN1C(=O)CC(c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)C1=O
InChIInChI=1S/C20H17N3O3/c1-23-18(24)10-15(20(23)26)16-11-21-17-9-13(7-8-14(16)17)22-19(25)12-5-3-2-4-6-12/h2-9,11,15,21H,10H2,1H3,(H,22,25)
InChIKeyYUROPOFQIPTIFU-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.89
Rot. Bonds3

About N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide

N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide (PubChem CID 56595719) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide.

Molecular Properties

Compound NameN-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide
PubChem CID56595719
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide
SMILESCN1C(=O)CC(c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)C1=O
InChIInChI=1S/C20H17N3O3/c1-23-18(24)10-15(20(23)26)16-11-21-17-9-13(7-8-14(16)17)22-19(25)12-5-3-2-4-6-12/h2-9,11,15,21H,10H2,1H3,(H,22,25)
InChIKeyYUROPOFQIPTIFU-UHFFFAOYSA-N
XLogP2.89
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 119037443
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide
CID 102266591
(3S)-1-[(S)-(6-benzamido-1H-indol-3-yl)-carboxymethyl]piperidine-3-carboxylic acid
CID 51720690
(2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 51721906
2-(5-benzamido-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 45495903
N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide
CID 86703337
N-(1-methyl-2,6-dioxopiperidin-4-yl)benzamide
CID 523504
(3R)-3-(1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 885166
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid
CID 11500516
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide?
The IUPAC name of N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide (CID 56595719) is N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide.
What is the SMILES notation for N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide?
The canonical SMILES for N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide is CN1C(=O)CC(c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)C1=O.
What is the InChIKey of N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide?
The InChIKey is YUROPOFQIPTIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-23-18(24)10-15(20(23)26)16-11-21-17-9-13(7-8-14(16)17)22-19(25)12-5-3-2-4-6-12/h2-9,11,15,21H,10H2,1H3,(H,22,25).
What are the key properties of N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide?
N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide has a molecular weight of 347.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide is sourced from PubChem (CID 56595719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).