6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide

C25H24BrN3O3 — CID 11576849

IUPAC6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide
SMILESCc1ccccc1NC(=O)CCCCCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O
InChIInChI=1S/C25H24BrN3O3/c1-15-9-5-7-11-17(15)28-20(30)14-4-2-3-13-19-21(16-10-6-8-12-18(16)27-19)22-23(26)25(32)29-24(22)31/h5-12,27H,2-4,13-14H2,1H3,(H,28,30)(H,29,31,32)
InChIKeyZXZDOTMNUDPILE-UHFFFAOYSA-N
MW494.39 g/mol
LogP4.98
Rot. Bonds8

About 6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide

6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide (PubChem CID 11576849) has the molecular formula C25H24BrN3O3 and a molecular weight of 494.39 g/mol. Its IUPAC name is 6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide.

Molecular Properties

Compound Name6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide
PubChem CID11576849
Molecular FormulaC25H24BrN3O3
Molecular Weight494.39 g/mol
Exact Mass493.10
IUPAC Name6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide
SMILESCc1ccccc1NC(=O)CCCCCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O
InChIInChI=1S/C25H24BrN3O3/c1-15-9-5-7-11-17(15)28-20(30)14-4-2-3-13-19-21(16-10-6-8-12-18(16)27-19)22-23(26)25(32)29-24(22)31/h5-12,27H,2-4,13-14H2,1H3,(H,28,30)(H,29,31,32)
InChIKeyZXZDOTMNUDPILE-UHFFFAOYSA-N
XLogP4.98
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide
CID 11634846
3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11688308
3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11522357
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide
CID 11673936
sodium;methane;3-methyl-2-octyl-1H-quinolin-4-one;N-(2-propanoylphenyl)nonanamide;hydroxide
CID 159047790
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827424
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
N-[2-(hydroxyamino)-2-oxoethyl]-N'-(2-methylphenyl)butanediamide
CID 86581901

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide?
The IUPAC name of 6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide (CID 11576849) is 6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide.
What is the SMILES notation for 6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide?
The canonical SMILES for 6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide is Cc1ccccc1NC(=O)CCCCCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O.
What is the InChIKey of 6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide?
The InChIKey is ZXZDOTMNUDPILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O3/c1-15-9-5-7-11-17(15)28-20(30)14-4-2-3-13-19-21(16-10-6-8-12-18(16)27-19)22-23(26)25(32)29-24(22)31/h5-12,27H,2-4,13-14H2,1H3,(H,28,30)(H,29,31,32).
What are the key properties of 6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide?
6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide has a molecular weight of 494.39 g/mol, XLogP of 4.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide is sourced from PubChem (CID 11576849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).