N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

C20H22F3N3O2 — CID 46686572

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCN1CCN(c2ccc(NC(=O)COc3ccccc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-25-10-12-26(13-11-25)16-8-6-15(7-9-16)24-19(27)14-28-18-5-3-2-4-17(18)20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27)
InChIKeyZSNQPIMTJUVZEJ-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.47
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 46686572) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID46686572
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCN1CCN(c2ccc(NC(=O)COc3ccccc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-25-10-12-26(13-11-25)16-8-6-15(7-9-16)24-19(27)14-28-18-5-3-2-4-17(18)20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27)
InChIKeyZSNQPIMTJUVZEJ-UHFFFAOYSA-N
XLogP3.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 7491916
2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 112978484
N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86833830
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 46686486
3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 108802305
2-(2-bromo-4-ethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 99119931
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
N-(4-morpholin-4-ylphenyl)-2-(2-propanoylphenoxy)acetamide
CID 2467189

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 46686572) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is CN1CCN(c2ccc(NC(=O)COc3ccccc3C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ZSNQPIMTJUVZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-25-10-12-26(13-11-25)16-8-6-15(7-9-16)24-19(27)14-28-18-5-3-2-4-17(18)20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 393.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 46686572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).