2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide

C25H24N4O4 — CID 17256670

IUPAC2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H24N4O4/c30-24(18-19-10-12-21(13-11-19)29(32)33)26-23-9-5-4-8-22(23)25(31)28-16-14-27(15-17-28)20-6-2-1-3-7-20/h1-13H,14-18H2,(H,26,30)
InChIKeyDMXJNXMQUJVRBY-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.74
Rot. Bonds6

About 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide

2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 17256670) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID17256670
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H24N4O4/c30-24(18-19-10-12-21(13-11-19)29(32)33)26-23-9-5-4-8-22(23)25(31)28-16-14-27(15-17-28)20-6-2-1-3-7-20/h1-13H,14-18H2,(H,26,30)
InChIKeyDMXJNXMQUJVRBY-UHFFFAOYSA-N
XLogP3.74
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.74
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 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]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-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 4212754
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
(2-methylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3113445
N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 3656947
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17309535
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3824217
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54795746
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17192294

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide (CID 17256670) is 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is DMXJNXMQUJVRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c30-24(18-19-10-12-21(13-11-19)29(32)33)26-23-9-5-4-8-22(23)25(31)28-16-14-27(15-17-28)20-6-2-1-3-7-20/h1-13H,14-18H2,(H,26,30).
What are the key properties of 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 444.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17256670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).