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

C19H21FN4O4 — CID 133417268

IUPACN-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide
SMILESCOc1cc(N2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H21FN4O4/c1-28-18-12-14(6-7-17(18)24(26)27)23-10-8-22(9-11-23)13-19(25)21-16-5-3-2-4-15(16)20/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyZSKWLIHASNVREM-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.50
Rot. Bonds6

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

N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 133417268) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID133417268
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC NameN-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide
SMILESCOc1cc(N2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H21FN4O4/c1-28-18-12-14(6-7-17(18)24(26)27)23-10-8-22(9-11-23)13-19(25)21-16-5-3-2-4-15(16)20/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyZSKWLIHASNVREM-UHFFFAOYSA-N
XLogP2.50
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.50
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

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 3212835
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688749
2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 20970572
N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide
CID 133417299
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 15945394
N-(2-fluorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655894
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
N-(2,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4818651
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide;hydrochloride
CID 23323553
1-(3-methoxy-4-nitrophenyl)-2,5-dihydropyrrole
CID 175593834

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide (CID 133417268) is N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide is COc1cc(N2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is ZSKWLIHASNVREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-28-18-12-14(6-7-17(18)24(26)27)23-10-8-22(9-11-23)13-19(25)21-16-5-3-2-4-15(16)20/h2-7,12H,8-11,13H2,1H3,(H,21,25).
What are the key properties of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 388.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133417268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).