7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide

C26H26BrN3O3 — CID 11634846

IUPAC7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide
SMILESCc1ccccc1NC(=O)CCCCCCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O
InChIInChI=1S/C26H26BrN3O3/c1-16-10-6-8-12-18(16)29-21(31)15-5-3-2-4-14-20-22(17-11-7-9-13-19(17)28-20)23-24(27)26(33)30-25(23)32/h6-13,28H,2-5,14-15H2,1H3,(H,29,31)(H,30,32,33)
InChIKeyZGNZZHRCXHSDPG-UHFFFAOYSA-N
MW508.42 g/mol
LogP5.37
Rot. Bonds9

About 7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide

7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide (PubChem CID 11634846) has the molecular formula C26H26BrN3O3 and a molecular weight of 508.42 g/mol. Its IUPAC name is 7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide.

Molecular Properties

Compound Name7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide
PubChem CID11634846
Molecular FormulaC26H26BrN3O3
Molecular Weight508.42 g/mol
Exact Mass507.12
IUPAC Name7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide
SMILESCc1ccccc1NC(=O)CCCCCCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O
InChIInChI=1S/C26H26BrN3O3/c1-16-10-6-8-12-18(16)29-21(31)15-5-3-2-4-14-20-22(17-11-7-9-13-19(17)28-20)23-24(27)26(33)30-25(23)32/h6-13,28H,2-5,14-15H2,1H3,(H,29,31)(H,30,32,33)
InChIKeyZGNZZHRCXHSDPG-UHFFFAOYSA-N
XLogP5.37
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.42
LogP ≤ 55.37
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

6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide
CID 11576849
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 7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide?
The IUPAC name of 7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide (CID 11634846) is 7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide.
What is the SMILES notation for 7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide?
The canonical SMILES for 7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide is Cc1ccccc1NC(=O)CCCCCCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O.
What is the InChIKey of 7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide?
The InChIKey is ZGNZZHRCXHSDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN3O3/c1-16-10-6-8-12-18(16)29-21(31)15-5-3-2-4-14-20-22(17-11-7-9-13-19(17)28-20)23-24(27)26(33)30-25(23)32/h6-13,28H,2-5,14-15H2,1H3,(H,29,31)(H,30,32,33).
What are the key properties of 7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide?
7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide has a molecular weight of 508.42 g/mol, XLogP of 5.37, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide is sourced from PubChem (CID 11634846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).