N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C21H23ClF3N3O — CID 24535040

IUPACN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H23ClF3N3O/c1-2-27-9-11-28(12-10-27)19-8-7-17(22)14-18(19)26-20(29)13-15-3-5-16(6-4-15)21(23,24)25/h3-8,14H,2,9-13H2,1H3,(H,26,29)
InChIKeyGBVJVZQZEIQKBL-UHFFFAOYSA-N
MW425.88 g/mol
LogP4.68
Rot. Bonds5

About N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 24535040) has the molecular formula C21H23ClF3N3O and a molecular weight of 425.88 g/mol. Its IUPAC name is N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID24535040
Molecular FormulaC21H23ClF3N3O
Molecular Weight425.88 g/mol
Exact Mass425.15
IUPAC NameN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H23ClF3N3O/c1-2-27-9-11-28(12-10-27)19-8-7-17(22)14-18(19)26-20(29)13-15-3-5-16(6-4-15)21(23,24)25/h3-8,14H,2,9-13H2,1H3,(H,26,29)
InChIKeyGBVJVZQZEIQKBL-UHFFFAOYSA-N
XLogP4.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534808
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 7491964
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55669090
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55364878
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17451721
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-ylacetamide
CID 7535492
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide
CID 17091526
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
CID 55757427
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 4272598
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea
CID 110894304

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 24535040) is N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GBVJVZQZEIQKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N3O/c1-2-27-9-11-28(12-10-27)19-8-7-17(22)14-18(19)26-20(29)13-15-3-5-16(6-4-15)21(23,24)25/h3-8,14H,2,9-13H2,1H3,(H,26,29).
What are the key properties of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 425.88 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24535040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).