N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide

C21H26FN3O — CID 55464520

IUPACN-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CCN(c2ccccc2F)CC1)c1ccccc1C
InChIInChI=1S/C21H26FN3O/c1-3-25(19-10-6-4-8-17(19)2)21(26)16-23-12-14-24(15-13-23)20-11-7-5-9-18(20)22/h4-11H,3,12-16H2,1-2H3
InChIKeyBKSKJVLCQWRDMP-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.31
Rot. Bonds5

About N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide

N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 55464520) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID55464520
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CCN(c2ccccc2F)CC1)c1ccccc1C
InChIInChI=1S/C21H26FN3O/c1-3-25(19-10-6-4-8-17(19)2)21(26)16-23-12-14-24(15-13-23)20-11-7-5-9-18(20)22/h4-11H,3,12-16H2,1-2H3
InChIKeyBKSKJVLCQWRDMP-UHFFFAOYSA-N
XLogP3.31
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 79411167
N-ethyl-2-(3-hydroxyazetidin-1-yl)-N-(2-methylphenyl)acetamide
CID 63282299
N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide
CID 55739191
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide
CID 36846496
N-ethyl-1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43052325
N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 115966759
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602
2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 103577314
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (CID 55464520) is N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is CCN(C(=O)CN1CCN(c2ccccc2F)CC1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is BKSKJVLCQWRDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-3-25(19-10-6-4-8-17(19)2)21(26)16-23-12-14-24(15-13-23)20-11-7-5-9-18(20)22/h4-11H,3,12-16H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 55464520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).