N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C19H19BrF3N3O — CID 22199175

IUPACN-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H19BrF3N3O/c20-15-4-6-16(7-5-15)24-18(27)13-25-8-10-26(11-9-25)17-3-1-2-14(12-17)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyOIAYSPPJZCMGJF-UHFFFAOYSA-N
MW442.28 g/mol
LogP4.23
Rot. Bonds4

About N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 22199175) has the molecular formula C19H19BrF3N3O and a molecular weight of 442.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID22199175
Molecular FormulaC19H19BrF3N3O
Molecular Weight442.28 g/mol
Exact Mass441.07
IUPAC NameN-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H19BrF3N3O/c20-15-4-6-16(7-5-15)24-18(27)13-25-8-10-26(11-9-25)17-3-1-2-14(12-17)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyOIAYSPPJZCMGJF-UHFFFAOYSA-N
XLogP4.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
CID 171700191
N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3229501
N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 17148965
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 50875724
N-(4-bromophenyl)-2-[3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
CID 16653838
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698408
N-(2,4,5-trichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199205
N-(2,3-dichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199177
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 22199175) is N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is OIAYSPPJZCMGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF3N3O/c20-15-4-6-16(7-5-15)24-18(27)13-25-8-10-26(11-9-25)17-3-1-2-14(12-17)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27).
What are the key properties of N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 442.28 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 22199175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).