6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide

C24H21BrN4O4 — CID 177188070

IUPAC6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)[nH]c2cc(Br)ccc12
InChIInChI=1S/C24H21BrN4O4/c1-2-15-17-5-3-13(25)10-18(17)27-21(15)23(32)26-14-4-6-16-12(9-14)11-29(24(16)33)19-7-8-20(30)28-22(19)31/h3-6,9-10,19,27H,2,7-8,11H2,1H3,(H,26,32)(H,28,30,31)
InChIKeyVSXMDPJSNFAGEJ-UHFFFAOYSA-N
MW509.36 g/mol
LogP3.51
Rot. Bonds4

About 6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide

6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide (PubChem CID 177188070) has the molecular formula C24H21BrN4O4 and a molecular weight of 509.36 g/mol. Its IUPAC name is 6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
PubChem CID177188070
Molecular FormulaC24H21BrN4O4
Molecular Weight509.36 g/mol
Exact Mass508.07
IUPAC Name6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)[nH]c2cc(Br)ccc12
InChIInChI=1S/C24H21BrN4O4/c1-2-15-17-5-3-13(25)10-18(17)27-21(15)23(32)26-14-4-6-16-12(9-14)11-29(24(16)33)19-7-8-20(30)28-22(19)31/h3-6,9-10,19,27H,2,7-8,11H2,1H3,(H,26,32)(H,28,30,31)
InChIKeyVSXMDPJSNFAGEJ-UHFFFAOYSA-N
XLogP3.51
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.36
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
CID 177188021
3-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4,5-dimethyl-1H-pyrrole-2-carboxamide
CID 177188047
4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 177188105
4-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 177188039
3-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 177188016
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 177188184
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methoxy-1H-indole-2-carboxamide
CID 177188138
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1H-indole-2-carboxamide
CID 177187982
3-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-pyrrole-2-carboxamide
CID 177187855
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-hydroxy-1H-indole-2-carboxamide
CID 177187886
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide
CID 177187872

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide (CID 177188070) is 6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide is CCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide?
The InChIKey is VSXMDPJSNFAGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O4/c1-2-15-17-5-3-13(25)10-18(17)27-21(15)23(32)26-14-4-6-16-12(9-14)11-29(24(16)33)19-7-8-20(30)28-22(19)31/h3-6,9-10,19,27H,2,7-8,11H2,1H3,(H,26,32)(H,28,30,31).
What are the key properties of 6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide?
6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide has a molecular weight of 509.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177188070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).