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

C19H19F3N4O3 — CID 3568177

IUPAC2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)14-1-3-15(4-2-14)23-18(27)13-24-9-11-25(12-10-24)16-5-7-17(8-6-16)26(28)29/h1-8H,9-13H2,(H,23,27)
InChIKeyZJVGXAGOTALKPR-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.37
Rot. Bonds5

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

2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 3568177) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID3568177
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)14-1-3-15(4-2-14)23-18(27)13-24-9-11-25(12-10-24)16-5-7-17(8-6-16)26(28)29/h1-8H,9-13H2,(H,23,27)
InChIKeyZJVGXAGOTALKPR-UHFFFAOYSA-N
XLogP3.37
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.37
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'}

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
N-(3,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590859
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 22198786
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27172955
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
N-(4-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 33473802
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 27246868
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
N-(5-chloro-2-pyridinyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198595
N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 36727936
N-(2,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4818651

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 3568177) is 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZJVGXAGOTALKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c20-19(21,22)14-1-3-15(4-2-14)23-18(27)13-24-9-11-25(12-10-24)16-5-7-17(8-6-16)26(28)29/h1-8H,9-13H2,(H,23,27).
What are the key properties of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 408.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3568177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).