2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide

C21H24F3N3O — CID 55788020

IUPAC2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H24F3N3O/c1-15-5-3-4-6-16(15)13-20(28)25-19-8-7-17(14-18(19)21(22,23)24)27-11-9-26(2)10-12-27/h3-8,14H,9-13H2,1-2H3,(H,25,28)
InChIKeyBPSPRWJZHWXLNS-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.95
Rot. Bonds4

About 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide

2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 55788020) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
PubChem CID55788020
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H24F3N3O/c1-15-5-3-4-6-16(15)13-20(28)25-19-8-7-17(14-18(19)21(22,23)24)27-11-9-26(2)10-12-27/h3-8,14H,9-13H2,1-2H3,(H,25,28)
InChIKeyBPSPRWJZHWXLNS-UHFFFAOYSA-N
XLogP3.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 8025203
2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788431
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
CID 55880920
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
CID 55788373
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788086
3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788182
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55788180
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108984636
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788115

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide (CID 55788020) is 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide is Cc1ccccc1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BPSPRWJZHWXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c1-15-5-3-4-6-16(15)13-20(28)25-19-8-7-17(14-18(19)21(22,23)24)27-11-9-26(2)10-12-27/h3-8,14H,9-13H2,1-2H3,(H,25,28).
What are the key properties of 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 391.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55788020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).