N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide

C19H20N4O4 — CID 7346441

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H20N4O4/c1-14(24)21-10-12-22(13-11-21)18-9-5-3-7-16(18)20-19(25)15-6-2-4-8-17(15)23(26)27/h2-9H,10-13H2,1H3,(H,20,25)
InChIKeyGNGWKSFAKOFEOD-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide (PubChem CID 7346441) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide
PubChem CID7346441
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H20N4O4/c1-14(24)21-10-12-22(13-11-21)18-9-5-3-7-16(18)20-19(25)15-6-2-4-8-17(15)23(26)27/h2-9H,10-13H2,1H3,(H,20,25)
InChIKeyGNGWKSFAKOFEOD-UHFFFAOYSA-N
XLogP2.52
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide 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-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide
CID 2960558
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7345547
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 26900785
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 17102731
1-[4-(2-methyl-3-nitrophenyl)piperazin-1-yl]ethanone
CID 68592977
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 3909607
N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide
CID 17358414
N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
ethyl 4-[2-[(2-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311376
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide (CID 7346441) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide?
The InChIKey is GNGWKSFAKOFEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-14(24)21-10-12-22(13-11-21)18-9-5-3-7-16(18)20-19(25)15-6-2-4-8-17(15)23(26)27/h2-9H,10-13H2,1H3,(H,20,25).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide has a molecular weight of 368.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 7346441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).