N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide

C27H27F4N3O2 — CID 51361398

IUPACN-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccccc1OC(F)(F)F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H27F4N3O2/c1-18-6-5-7-19(2)24(18)32-26(35)25(22-8-3-4-9-23(22)36-27(29,30)31)34-16-14-33(15-17-34)21-12-10-20(28)11-13-21/h3-13,25H,14-17H2,1-2H3,(H,32,35)
InChIKeyUWWLLGSBJSFEBY-UHFFFAOYSA-N
MW501.52 g/mol
LogP5.84
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide

N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 51361398) has the molecular formula C27H27F4N3O2 and a molecular weight of 501.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide
PubChem CID51361398
Molecular FormulaC27H27F4N3O2
Molecular Weight501.52 g/mol
Exact Mass501.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccccc1OC(F)(F)F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H27F4N3O2/c1-18-6-5-7-19(2)24(18)32-26(35)25(22-8-3-4-9-23(22)36-27(29,30)31)34-16-14-33(15-17-34)21-12-10-20(28)11-13-21/h3-13,25H,14-17H2,1-2H3,(H,32,35)
InChIKeyUWWLLGSBJSFEBY-UHFFFAOYSA-N
XLogP5.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.52
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide with MolForge

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Related Compounds

(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135183
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 134038219
2-(1-benzofuran-2-yl)-N-(2,6-dimethylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 53383972
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanone
CID 70980862
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
2-(2-ethyl-6-methylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 56503227
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42535984
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 46800952

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide (CID 51361398) is N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide is Cc1cccc(C)c1NC(=O)C(c1ccccc1OC(F)(F)F)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is UWWLLGSBJSFEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F4N3O2/c1-18-6-5-7-19(2)24(18)32-26(35)25(22-8-3-4-9-23(22)36-27(29,30)31)34-16-14-33(15-17-34)21-12-10-20(28)11-13-21/h3-13,25H,14-17H2,1-2H3,(H,32,35).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 501.52 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 51361398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).