2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide

C18H19ClN4O3 — CID 8530335

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19ClN4O3/c19-14-2-1-3-17(12-14)22-10-8-21(9-11-22)13-18(24)20-15-4-6-16(7-5-15)23(25)26/h1-7,12H,8-11,13H2,(H,20,24)
InChIKeyCFILDCXHTCTDHJ-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.01
Rot. Bonds5

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 8530335) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
PubChem CID8530335
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19ClN4O3/c19-14-2-1-3-17(12-14)22-10-8-21(9-11-22)13-18(24)20-15-4-6-16(7-5-15)23(25)26/h1-7,12H,8-11,13H2,(H,20,24)
InChIKeyCFILDCXHTCTDHJ-UHFFFAOYSA-N
XLogP3.01
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.01
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'}

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Related Compounds

2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 22198786
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)-4-oxobutanamide
CID 3499855
N-(3,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590859
2-[4-(3-nitrophenyl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 55843110
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3568177
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
N-(5-chloro-2-pyridinyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198595
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide (CID 8530335) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is CFILDCXHTCTDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-14-2-1-3-17(12-14)22-10-8-21(9-11-22)13-18(24)20-15-4-6-16(7-5-15)23(25)26/h1-7,12H,8-11,13H2,(H,20,24).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 374.83 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 8530335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).