2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide

C20H21ClF3N3O3S — CID 37386366

IUPAC2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C20H21ClF3N3O3S/c21-16-11-15(22)6-5-14(16)12-26-7-9-27(10-8-26)13-19(28)25-17-3-1-2-4-18(17)31(29,30)20(23)24/h1-6,11,20H,7-10,12-13H2,(H,25,28)
InChIKeyLIQJHNRFPLYIDW-UHFFFAOYSA-N
MW475.92 g/mol
LogP3.23
Rot. Bonds7

About 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide

2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide (PubChem CID 37386366) has the molecular formula C20H21ClF3N3O3S and a molecular weight of 475.92 g/mol. Its IUPAC name is 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
PubChem CID37386366
Molecular FormulaC20H21ClF3N3O3S
Molecular Weight475.92 g/mol
Exact Mass475.09
IUPAC Name2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C20H21ClF3N3O3S/c21-16-11-15(22)6-5-14(16)12-26-7-9-27(10-8-26)13-19(28)25-17-3-1-2-4-18(17)31(29,30)20(23)24/h1-6,11,20H,7-10,12-13H2,(H,25,28)
InChIKeyLIQJHNRFPLYIDW-UHFFFAOYSA-N
XLogP3.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.92
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 22194502
N-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55464521
N-[2-(difluoromethylsulfonyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 55468782
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 22194497
N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149224
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22194491
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587
N-(5-acetamido-2-methoxyphenyl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 37385958
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46666057
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 46444650

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide (CID 37386366) is 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide is O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is LIQJHNRFPLYIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3S/c21-16-11-15(22)6-5-14(16)12-26-7-9-27(10-8-26)13-19(28)25-17-3-1-2-4-18(17)31(29,30)20(23)24/h1-6,11,20H,7-10,12-13H2,(H,25,28).
What are the key properties of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 475.92 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 37386366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).