N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

C20H24FN3O2 — CID 650895

IUPACN-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1
InChIInChI=1S/C20H24FN3O2/c1-15-7-8-16(21)13-17(15)22-20(25)14-23-9-11-24(12-10-23)18-5-3-4-6-19(18)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyYAXPFEBMOIXTOU-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.90
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 650895) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID650895
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1
InChIInChI=1S/C20H24FN3O2/c1-15-7-8-16(21)13-17(15)22-20(25)14-23-9-11-24(12-10-23)18-5-3-4-6-19(18)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyYAXPFEBMOIXTOU-UHFFFAOYSA-N
XLogP2.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (CID 650895) is N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccccc1N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is YAXPFEBMOIXTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15-7-8-16(21)13-17(15)22-20(25)14-23-9-11-24(12-10-23)18-5-3-4-6-19(18)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 357.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 650895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).