N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide

C24H21BrClN3O2 — CID 1288712

IUPACN-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C24H21BrClN3O2/c25-18-10-11-20(26)19(16-18)23(30)27-21-8-4-5-9-22(21)28-12-14-29(15-13-28)24(31)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,27,30)
InChIKeyCEGLMXXCTGCEDH-UHFFFAOYSA-N
MW498.81 g/mol
LogP5.32
Rot. Bonds4

About N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide (PubChem CID 1288712) has the molecular formula C24H21BrClN3O2 and a molecular weight of 498.81 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
PubChem CID1288712
Molecular FormulaC24H21BrClN3O2
Molecular Weight498.81 g/mol
Exact Mass497.05
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C24H21BrClN3O2/c25-18-10-11-20(26)19(16-18)23(30)27-21-8-4-5-9-22(21)28-12-14-29(15-13-28)24(31)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,27,30)
InChIKeyCEGLMXXCTGCEDH-UHFFFAOYSA-N
XLogP5.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.81
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide
CID 1357514
N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)-4-chlorobenzamide
CID 44318782
5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 979198
N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
CID 141437009
N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
CID 141437014
N-(2-aminophenyl)-4-[[(3E)-3-[(2-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
CID 141437016
4-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 3159803
Piperazine amide, 6k
CID 44236968
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide
CID 1048472
5-bromo-2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1254546
N-[2-(4-acetyl-1-piperazinyl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 1265599

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide (CID 1288712) is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide is O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc(Br)ccc1Cl.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide?
The InChIKey is CEGLMXXCTGCEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClN3O2/c25-18-10-11-20(26)19(16-18)23(30)27-21-8-4-5-9-22(21)28-12-14-29(15-13-28)24(31)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,27,30).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide?
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide has a molecular weight of 498.81 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide is sourced from PubChem (CID 1288712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).