N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide

C23H26Br2ClN3O3 — CID 43914678

IUPACN-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C23H26Br2ClN3O3/c1-14(2)23(31)29-8-6-28(7-9-29)20-5-4-17(26)12-19(20)27-21(30)13-32-22-15(3)10-16(24)11-18(22)25/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,27,30)
InChIKeyHXZVJVCXMAPFCY-UHFFFAOYSA-N
MW587.74 g/mol
LogP5.50
Rot. Bonds6

About N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide

N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 43914678) has the molecular formula C23H26Br2ClN3O3 and a molecular weight of 587.74 g/mol. Its IUPAC name is N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID43914678
Molecular FormulaC23H26Br2ClN3O3
Molecular Weight587.74 g/mol
Exact Mass585.00
IUPAC NameN-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C23H26Br2ClN3O3/c1-14(2)23(31)29-8-6-28(7-9-29)20-5-4-17(26)12-19(20)27-21(30)13-32-22-15(3)10-16(24)11-18(22)25/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,27,30)
InChIKeyHXZVJVCXMAPFCY-UHFFFAOYSA-N
XLogP5.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.74
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 17066165
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17066174
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 17066063
2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 4501880
N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 43914828
2-(4-chloro-2-methylphenoxy)-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1397453
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17319255
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 17066065
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4262166
2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 5169100
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
CID 17092284
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 98128992

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 43914678) is N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is HXZVJVCXMAPFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Br2ClN3O3/c1-14(2)23(31)29-8-6-28(7-9-29)20-5-4-17(26)12-19(20)27-21(30)13-32-22-15(3)10-16(24)11-18(22)25/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,27,30).
What are the key properties of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 587.74 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 43914678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).