2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C21H21ClF3N3O3 — CID 55543337

IUPAC2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C21H21ClF3N3O3/c22-17-6-3-5-15(12-17)20(30)28-10-8-27(9-11-28)14-19(29)26-13-16-4-1-2-7-18(16)31-21(23,24)25/h1-7,12H,8-11,13-14H2,(H,26,29)
InChIKeySDSCJKHFEXYHPG-UHFFFAOYSA-N
MW455.86 g/mol
LogP3.31
Rot. Bonds6

About 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 55543337) has the molecular formula C21H21ClF3N3O3 and a molecular weight of 455.86 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID55543337
Molecular FormulaC21H21ClF3N3O3
Molecular Weight455.86 g/mol
Exact Mass455.12
IUPAC Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C21H21ClF3N3O3/c22-17-6-3-5-15(12-17)20(30)28-10-8-27(9-11-28)14-19(29)26-13-16-4-1-2-7-18(16)31-21(23,24)25/h1-7,12H,8-11,13-14H2,(H,26,29)
InChIKeySDSCJKHFEXYHPG-UHFFFAOYSA-N
XLogP3.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.86
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24664292
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55739673
2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid
CID 154911848
2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30671216
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 35427329
(3-chlorophenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 2927115
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 35229915
2-[4-[3-chloro-4-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 4992020
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 37446914
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 55544316

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 55543337) is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is SDSCJKHFEXYHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N3O3/c22-17-6-3-5-15(12-17)20(30)28-10-8-27(9-11-28)14-19(29)26-13-16-4-1-2-7-18(16)31-21(23,24)25/h1-7,12H,8-11,13-14H2,(H,26,29).
What are the key properties of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 455.86 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 55543337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).