N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide

C22H25Cl2FN4O2 — CID 25487251

IUPACN-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C22H25Cl2FN4O2/c1-27(14-20(30)26-22-17(23)6-4-7-18(22)24)15-21(31)29-11-9-28(10-12-29)13-16-5-2-3-8-19(16)25/h2-8H,9-15H2,1H3,(H,26,30)
InChIKeyOQIJWWLWBRACJM-UHFFFAOYSA-N
MW467.37 g/mol
LogP3.35
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide

N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide (PubChem CID 25487251) has the molecular formula C22H25Cl2FN4O2 and a molecular weight of 467.37 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
PubChem CID25487251
Molecular FormulaC22H25Cl2FN4O2
Molecular Weight467.37 g/mol
Exact Mass466.13
IUPAC NameN-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C22H25Cl2FN4O2/c1-27(14-20(30)26-22-17(23)6-4-7-18(22)24)15-21(31)29-11-9-28(10-12-29)13-16-5-2-3-8-19(16)25/h2-8H,9-15H2,1H3,(H,26,30)
InChIKeyOQIJWWLWBRACJM-UHFFFAOYSA-N
XLogP3.35
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 8793749
N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 8843504
N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065
N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 8768478
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
ethyl 4-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]piperazine-1-carboxylate
CID 9038050
2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 86905781
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 2474847

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide (CID 25487251) is N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is OQIJWWLWBRACJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2FN4O2/c1-27(14-20(30)26-22-17(23)6-4-7-18(22)24)15-21(31)29-11-9-28(10-12-29)13-16-5-2-3-8-19(16)25/h2-8H,9-15H2,1H3,(H,26,30).
What are the key properties of N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 467.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 25487251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).