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

C20H19F6N3O — CID 22199190

IUPACN-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F6N3O/c21-19(22,23)14-4-3-5-15(12-14)29-10-8-28(9-11-29)13-18(30)27-17-7-2-1-6-16(17)20(24,25)26/h1-7,12H,8-11,13H2,(H,27,30)
InChIKeyHKRIFKGREKHTLV-UHFFFAOYSA-N
MW431.38 g/mol
LogP4.48
Rot. Bonds4

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

N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 22199190) has the molecular formula C20H19F6N3O and a molecular weight of 431.38 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID22199190
Molecular FormulaC20H19F6N3O
Molecular Weight431.38 g/mol
Exact Mass431.14
IUPAC NameN-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F6N3O/c21-19(22,23)14-4-3-5-15(12-14)29-10-8-28(9-11-29)13-18(30)27-17-7-2-1-6-16(17)20(24,25)26/h1-7,12H,8-11,13H2,(H,27,30)
InChIKeyHKRIFKGREKHTLV-UHFFFAOYSA-N
XLogP4.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
N-(2,3-dichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199177
N-(2,4,5-trichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199205
N-(2-morpholin-4-ylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3717651
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548080
N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 133358312
2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849419
N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199175
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
N-(2-tert-butylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34736252
N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
CID 171700191
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 22199190) is N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is HKRIFKGREKHTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N3O/c21-19(22,23)14-4-3-5-15(12-14)29-10-8-28(9-11-29)13-18(30)27-17-7-2-1-6-16(17)20(24,25)26/h1-7,12H,8-11,13H2,(H,27,30).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 431.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 22199190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).