N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide

C20H22FN3O3 — CID 91937735

IUPACN-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H22FN3O3/c1-15(25)22-16-6-8-17(9-7-16)27-14-20(26)24-12-10-23(11-13-24)19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyIZGXZROHAYTGGP-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.51
Rot. Bonds5

About N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide

N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide (PubChem CID 91937735) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
PubChem CID91937735
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H22FN3O3/c1-15(25)22-16-6-8-17(9-7-16)27-14-20(26)24-12-10-23(11-13-24)19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyIZGXZROHAYTGGP-UHFFFAOYSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide (CID 91937735) is N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is IZGXZROHAYTGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-15(25)22-16-6-8-17(9-7-16)27-14-20(26)24-12-10-23(11-13-24)19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3,(H,22,25).
What are the key properties of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 371.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 91937735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).