2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide

C24H31F2N3O3 — CID 153373094

IUPAC2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
SMILESCc1ccc(OCC(=O)NN2CCN(CC(C)COc3ccc(C)c(F)c3)CC2)cc1F
InChIInChI=1S/C24H31F2N3O3/c1-17(15-31-20-6-4-18(2)22(25)12-20)14-28-8-10-29(11-9-28)27-24(30)16-32-21-7-5-19(3)23(26)13-21/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H,27,30)
InChIKeyZLZWWRZKNHYKSD-UHFFFAOYSA-N
MW447.53 g/mol
LogP3.32
Rot. Bonds9

About 2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide

2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide (PubChem CID 153373094) has the molecular formula C24H31F2N3O3 and a molecular weight of 447.53 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
PubChem CID153373094
Molecular FormulaC24H31F2N3O3
Molecular Weight447.53 g/mol
Exact Mass447.23
IUPAC Name2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
SMILESCc1ccc(OCC(=O)NN2CCN(CC(C)COc3ccc(C)c(F)c3)CC2)cc1F
InChIInChI=1S/C24H31F2N3O3/c1-17(15-31-20-6-4-18(2)22(25)12-20)14-28-8-10-29(11-9-28)27-24(30)16-32-21-7-5-19(3)23(26)13-21/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H,27,30)
InChIKeyZLZWWRZKNHYKSD-UHFFFAOYSA-N
XLogP3.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 146457928
2-(3,4-dimethylphenoxy)-N-morpholin-4-ylacetamide
CID 17443595
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743
2-(4-ethynylphenoxy)-N-[1-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]piperidin-4-yl]acetamide
CID 163557537
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 9204914
N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 146457725
2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 107171511
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 95314131
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
CID 82037453
N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107168696

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide (CID 153373094) is 2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide is Cc1ccc(OCC(=O)NN2CCN(CC(C)COc3ccc(C)c(F)c3)CC2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide?
The InChIKey is ZLZWWRZKNHYKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3O3/c1-17(15-31-20-6-4-18(2)22(25)12-20)14-28-8-10-29(11-9-28)27-24(30)16-32-21-7-5-19(3)23(26)13-21/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H,27,30).
What are the key properties of 2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide?
2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide has a molecular weight of 447.53 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 153373094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).