2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide

C20H21Br2N3O2 — CID 4197807

IUPAC2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(C(=O)c2ccccc2Br)CC1)c1ccccc1Br
InChIInChI=1S/C20H21Br2N3O2/c21-17-7-3-1-5-15(17)19(26)23-9-10-24-11-13-25(14-12-24)20(27)16-6-2-4-8-18(16)22/h1-8H,9-14H2,(H,23,26)
InChIKeyGPITWNHHYPSNLF-UHFFFAOYSA-N
MW495.22 g/mol
LogP3.40
Rot. Bonds5

About 2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide

2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 4197807) has the molecular formula C20H21Br2N3O2 and a molecular weight of 495.22 g/mol. Its IUPAC name is 2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
PubChem CID4197807
Molecular FormulaC20H21Br2N3O2
Molecular Weight495.22 g/mol
Exact Mass493.00
IUPAC Name2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(C(=O)c2ccccc2Br)CC1)c1ccccc1Br
InChIInChI=1S/C20H21Br2N3O2/c21-17-7-3-1-5-15(17)19(26)23-9-10-24-11-13-25(14-12-24)20(27)16-6-2-4-8-18(16)22/h1-8H,9-14H2,(H,23,26)
InChIKeyGPITWNHHYPSNLF-UHFFFAOYSA-N
XLogP3.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
CID 71871594
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422478
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835
2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716239
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
N-[2-(azepan-1-yl)ethyl]-3-bromo-2-fluorobenzamide
CID 106547835
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19327543
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide (CID 4197807) is 2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(C(=O)c2ccccc2Br)CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is GPITWNHHYPSNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Br2N3O2/c21-17-7-3-1-5-15(17)19(26)23-9-10-24-11-13-25(14-12-24)20(27)16-6-2-4-8-18(16)22/h1-8H,9-14H2,(H,23,26).
What are the key properties of 2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide?
2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 495.22 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 4197807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).