N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide

C20H22ClF3N4O — CID 171691034

IUPACN-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCN(Cc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H22ClF3N4O/c1-14-16(21)3-2-4-17(14)26-19(29)13-28-9-7-27(8-10-28)12-15-5-6-25-18(11-15)20(22,23)24/h2-6,11H,7-10,12-13H2,1H3,(H,26,29)
InChIKeyUQJXYXQADWWLMI-UHFFFAOYSA-N
MW426.87 g/mol
LogP3.82
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide (PubChem CID 171691034) has the molecular formula C20H22ClF3N4O and a molecular weight of 426.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
PubChem CID171691034
Molecular FormulaC20H22ClF3N4O
Molecular Weight426.87 g/mol
Exact Mass426.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCN(Cc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H22ClF3N4O/c1-14-16(21)3-2-4-17(14)26-19(29)13-28-9-7-27(8-10-28)12-15-5-6-25-18(11-15)20(22,23)24/h2-6,11H,7-10,12-13H2,1H3,(H,26,29)
InChIKeyUQJXYXQADWWLMI-UHFFFAOYSA-N
XLogP3.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.87
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 171337882
N-(3-chloro-2-methylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434250
N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337888
N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337884
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194756
N-(3-chloro-2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]acetamide
CID 171327738
N-(3-chloro-2-methylphenyl)-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 134038865
N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6465296
N-(3-chloro-2-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31631258
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194773
N-(2-chlorophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434228

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide (CID 171691034) is N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide is Cc1c(Cl)cccc1NC(=O)CN1CCN(Cc2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
The InChIKey is UQJXYXQADWWLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N4O/c1-14-16(21)3-2-4-17(14)26-19(29)13-28-9-7-27(8-10-28)12-15-5-6-25-18(11-15)20(22,23)24/h2-6,11H,7-10,12-13H2,1H3,(H,26,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide has a molecular weight of 426.87 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 171691034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).