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

C22H28FN3O2 — CID 39052897

IUPAC2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
SMILESCCc1ccc(OCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H28FN3O2/c1-2-18-3-9-21(10-4-18)28-17-22(27)24-11-12-25-13-15-26(16-14-25)20-7-5-19(23)6-8-20/h3-10H,2,11-17H2,1H3,(H,24,27)
InChIKeyVMFDHJYQECJHHJ-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.71
Rot. Bonds8

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

2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 39052897) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
PubChem CID39052897
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
SMILESCCc1ccc(OCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H28FN3O2/c1-2-18-3-9-21(10-4-18)28-17-22(27)24-11-12-25-13-15-26(16-14-25)20-7-5-19(23)6-8-20/h3-10H,2,11-17H2,1H3,(H,24,27)
InChIKeyVMFDHJYQECJHHJ-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34992328
2-(3-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 34999063
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025749
2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 50945079
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 112972051
2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 55657854
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
2-(4-aminophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 119902192
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(methylamino)butanamide
CID 119902194

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide (CID 39052897) is 2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide is CCc1ccc(OCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is VMFDHJYQECJHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-2-18-3-9-21(10-4-18)28-17-22(27)24-11-12-25-13-15-26(16-14-25)20-7-5-19(23)6-8-20/h3-10H,2,11-17H2,1H3,(H,24,27).
What are the key properties of 2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 385.48 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 39052897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).