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

C25H24N4O4 — CID 16555008

IUPACN-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H24N4O4/c30-24(26-21-11-5-4-10-20(21)25(31)19-8-2-1-3-9-19)18-27-14-16-28(17-15-27)22-12-6-7-13-23(22)29(32)33/h1-13H,14-18H2,(H,26,30)
InChIKeyCVWRBIIEALMQTO-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.59
Rot. Bonds7

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

N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 16555008) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID16555008
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H24N4O4/c30-24(26-21-11-5-4-10-20(21)25(31)19-8-2-1-3-9-19)18-27-14-16-28(17-15-27)22-12-6-7-13-23(22)29(32)33/h1-13H,14-18H2,(H,26,30)
InChIKeyCVWRBIIEALMQTO-UHFFFAOYSA-N
XLogP3.59
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-nitrophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 27207371
2-[[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]benzamide
CID 46689434
N-(2-nitrophenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 31376638
N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 17396044
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 27207510
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102987
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 27155798
N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 112800026
2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
CID 31480734
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 31372103
N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 55682168

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide (CID 16555008) is N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is CVWRBIIEALMQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c30-24(26-21-11-5-4-10-20(21)25(31)19-8-2-1-3-9-19)18-27-14-16-28(17-15-27)22-12-6-7-13-23(22)29(32)33/h1-13H,14-18H2,(H,26,30).
What are the key properties of N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 444.49 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 16555008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).