2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide

C21H26FN3O3 — CID 42266897

IUPAC2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)COc2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O3/c1-27-20-9-5-3-7-18(20)25-14-12-24(13-15-25)11-10-23-21(26)16-28-19-8-4-2-6-17(19)22/h2-9H,10-16H2,1H3,(H,23,26)
InChIKeyWQKWYLOBUPNEKB-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.15
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide

2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 42266897) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
PubChem CID42266897
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)COc2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O3/c1-27-20-9-5-3-7-18(20)25-14-12-24(13-15-25)11-10-23-21(26)16-28-19-8-4-2-6-17(19)22/h2-9H,10-16H2,1H3,(H,23,26)
InChIKeyWQKWYLOBUPNEKB-UHFFFAOYSA-N
XLogP2.15
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
CID 42266869
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 11725128
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
(2R)-1-(2-fluorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1033127

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide (CID 42266897) is 2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide is COc1ccccc1N1CCN(CCNC(=O)COc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is WQKWYLOBUPNEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-27-20-9-5-3-7-18(20)25-14-12-24(13-15-25)11-10-23-21(26)16-28-19-8-4-2-6-17(19)22/h2-9H,10-16H2,1H3,(H,23,26).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?
2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 42266897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).