2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide

C23H23BrN4O4 — CID 166330829

IUPAC2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)NCC(=O)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C23H23BrN4O4/c24-17-6-5-16-7-8-28(19(16)13-17)15-21(30)25-14-22(31)26-9-11-27(12-10-26)23(32)18-3-1-2-4-20(18)29/h1-8,13,29H,9-12,14-15H2,(H,25,30)
InChIKeyYHSBFHFZVVOGQZ-UHFFFAOYSA-N
MW499.37 g/mol
LogP2.21
Rot. Bonds5

About 2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide

2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 166330829) has the molecular formula C23H23BrN4O4 and a molecular weight of 499.37 g/mol. Its IUPAC name is 2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID166330829
Molecular FormulaC23H23BrN4O4
Molecular Weight499.37 g/mol
Exact Mass498.09
IUPAC Name2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)NCC(=O)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C23H23BrN4O4/c24-17-6-5-16-7-8-28(19(16)13-17)15-21(30)25-14-22(31)26-9-11-27(12-10-26)23(32)18-3-1-2-4-20(18)29/h1-8,13,29H,9-12,14-15H2,(H,25,30)
InChIKeyYHSBFHFZVVOGQZ-UHFFFAOYSA-N
XLogP2.21
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 166330829) is 2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide is O=C(Cn1ccc2ccc(Br)cc21)NCC(=O)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is YHSBFHFZVVOGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O4/c24-17-6-5-16-7-8-28(19(16)13-17)15-21(30)25-14-22(31)26-9-11-27(12-10-26)23(32)18-3-1-2-4-20(18)29/h1-8,13,29H,9-12,14-15H2,(H,25,30).
What are the key properties of 2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide?
2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 499.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 166330829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).