N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide

C19H22ClF3N6O — CID 133418094

IUPACN-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H22ClF3N6O/c1-27(2)16-11-15(19(21,22)23)25-18(26-16)29-9-7-28(8-10-29)12-17(30)24-14-5-3-13(20)4-6-14/h3-6,11H,7-10,12H2,1-2H3,(H,24,30)
InChIKeyMVZOBUBSQFMAHC-UHFFFAOYSA-N
MW442.87 g/mol
LogP2.98
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide (PubChem CID 133418094) has the molecular formula C19H22ClF3N6O and a molecular weight of 442.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
PubChem CID133418094
Molecular FormulaC19H22ClF3N6O
Molecular Weight442.87 g/mol
Exact Mass442.15
IUPAC NameN-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H22ClF3N6O/c1-27(2)16-11-15(19(21,22)23)25-18(26-16)29-9-7-28(8-10-29)12-17(30)24-14-5-3-13(20)4-6-14/h3-6,11H,7-10,12H2,1-2H3,(H,24,30)
InChIKeyMVZOBUBSQFMAHC-UHFFFAOYSA-N
XLogP2.98
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274040
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171998509
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
CID 36627980
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031971
N-(4-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 29107496
2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 133433238
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
N-[(2,4-dichlorophenyl)methyl]-2-[4-[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]acetamide
CID 25262379
N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 133418014

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide (CID 133418094) is N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide is CN(C)c1cc(C(F)(F)F)nc(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The InChIKey is MVZOBUBSQFMAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N6O/c1-27(2)16-11-15(19(21,22)23)25-18(26-16)29-9-7-28(8-10-29)12-17(30)24-14-5-3-13(20)4-6-14/h3-6,11H,7-10,12H2,1-2H3,(H,24,30).
What are the key properties of N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide has a molecular weight of 442.87 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 133418094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).