3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

C21H24BrN3O3 — CID 26158239

IUPAC3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1Br
InChIInChI=1S/C21H24BrN3O3/c1-3-28-19-8-7-15(14-18(19)22)20(26)23-17-6-4-5-16(13-17)21(27)25-11-9-24(2)10-12-25/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,26)
InChIKeyNRCGYDVWVIMJOQ-UHFFFAOYSA-N
MW446.35 g/mol
LogP3.49
Rot. Bonds5

About 3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 26158239) has the molecular formula C21H24BrN3O3 and a molecular weight of 446.35 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID26158239
Molecular FormulaC21H24BrN3O3
Molecular Weight446.35 g/mol
Exact Mass445.10
IUPAC Name3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1Br
InChIInChI=1S/C21H24BrN3O3/c1-3-28-19-8-7-15(14-18(19)22)20(26)23-17-6-4-5-16(13-17)21(27)25-11-9-24(2)10-12-25/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,26)
InChIKeyNRCGYDVWVIMJOQ-UHFFFAOYSA-N
XLogP3.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958
N-[3-(azepane-1-carbonyl)phenyl]-3-bromo-4-methoxybenzamide
CID 26159299
3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205552
3-bromo-N-[3-(butylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17197037
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide
CID 15998680
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123630
N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053558
5-bromo-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 26158208
3-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-ethoxybenzamide
CID 17066254

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 26158239) is 3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is NRCGYDVWVIMJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O3/c1-3-28-19-8-7-15(14-18(19)22)20(26)23-17-6-4-5-16(13-17)21(27)25-11-9-24(2)10-12-25/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,26).
What are the key properties of 3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 446.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26158239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).