N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide

C21H24BrClN4O2 — CID 6865969

IUPACN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1Br
InChIInChI=1S/C21H24BrClN4O2/c1-29-20-7-6-16(12-18(20)22)13-24-25-21(28)15-27-10-8-26(9-11-27)14-17-4-2-3-5-19(17)23/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,28)/b24-13+
InChIKeyQXDYPXSTRBILJZ-ZMOGYAJESA-N
MW479.81 g/mol
LogP3.38
Rot. Bonds7

About N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide

N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 6865969) has the molecular formula C21H24BrClN4O2 and a molecular weight of 479.81 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID6865969
Molecular FormulaC21H24BrClN4O2
Molecular Weight479.81 g/mol
Exact Mass478.08
IUPAC NameN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1Br
InChIInChI=1S/C21H24BrClN4O2/c1-29-20-7-6-16(12-18(20)22)13-24-25-21(28)15-27-10-8-26(9-11-27)14-17-4-2-3-5-19(17)23/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,28)/b24-13+
InChIKeyQXDYPXSTRBILJZ-ZMOGYAJESA-N
XLogP3.38
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]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-Benzyl-1-piperazinyl)-N'-(3-bromo-4-methoxybenzylidene)acetohydrazide
CID 6867210
(5-Bromo-2-methoxy-benzylidene)-(4-(2-chloro-benzyl)-piperazin-1-YL)-amine
CID 6861802
2-(4-Benzyl-1-piperazinyl)-N'-(5-bromo-2-methoxybenzylidene)acetohydrazide
CID 6867746
2-(4-benzylpiperazin-1-yl)-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide
CID 6884840
2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
CID 5514902
2-(4-benzylpiperazin-1-yl)-N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]acetohydrazide
CID 5515015
2-(4-(2-Chlorobenzyl)-1-piperazinyl)-N'-(4-methoxybenzylidene)acetohydrazide
CID 6880960
2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide
CID 135635803
2-(4-benzylpiperazin-1-yl)-N'-(3-bromo-4-methoxybenzylidene)acetohydrazide
CID 1409848
Salor-int L475807-1EA
CID 5536266
N'-[(Z)-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 125618508
N'-[(Z)-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 125619471

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide (CID 6865969) is N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1Br.
What is the InChIKey of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is QXDYPXSTRBILJZ-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H24BrClN4O2/c1-29-20-7-6-16(12-18(20)22)13-24-25-21(28)15-27-10-8-26(9-11-27)14-17-4-2-3-5-19(17)23/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,28)/b24-13+.
What are the key properties of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide?
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 479.81 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 6865969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).