N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

C19H21BrN4O3 — CID 5038934

IUPACN-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1
InChIInChI=1S/C19H21BrN4O3/c1-14-2-7-18(17(20)12-14)21-19(25)13-22-8-10-23(11-9-22)15-3-5-16(6-4-15)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyVQLYZNWGFCOCLG-UHFFFAOYSA-N
MW433.31 g/mol
LogP3.43
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 5038934) has the molecular formula C19H21BrN4O3 and a molecular weight of 433.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID5038934
Molecular FormulaC19H21BrN4O3
Molecular Weight433.31 g/mol
Exact Mass432.08
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1
InChIInChI=1S/C19H21BrN4O3/c1-14-2-7-18(17(20)12-14)21-19(25)13-22-8-10-23(11-9-22)15-3-5-16(6-4-15)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyVQLYZNWGFCOCLG-UHFFFAOYSA-N
XLogP3.43
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)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

N-(2,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4818651
N-(2-bromophenyl)-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]acetamide
CID 46614305
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 29325726
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16959731
N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide
CID 2946043
N-(2-cyano-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 29325723
N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 36727936
N-(2-fluoro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691168
N-(2,4-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide
CID 8590909
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
N-(3,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590859
N-(2-chloro-5-nitrophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 2082970

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide (CID 5038934) is N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is VQLYZNWGFCOCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O3/c1-14-2-7-18(17(20)12-14)21-19(25)13-22-8-10-23(11-9-22)15-3-5-16(6-4-15)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 433.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 5038934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).