2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide

C20H22ClF2N3O — CID 46571540

IUPAC2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCC(c1ccccc1Cl)N1CCN(CC(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H22ClF2N3O/c1-14(16-4-2-3-5-17(16)21)26-10-8-25(9-11-26)13-20(27)24-19-7-6-15(22)12-18(19)23/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)
InChIKeyBTMZWNWVYOPTHJ-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.94
Rot. Bonds5

About 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide

2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 46571540) has the molecular formula C20H22ClF2N3O and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID46571540
Molecular FormulaC20H22ClF2N3O
Molecular Weight393.87 g/mol
Exact Mass393.14
IUPAC Name2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCC(c1ccccc1Cl)N1CCN(CC(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H22ClF2N3O/c1-14(16-4-2-3-5-17(16)21)26-10-8-25(9-11-26)13-20(27)24-19-7-6-15(22)12-18(19)23/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)
InChIKeyBTMZWNWVYOPTHJ-UHFFFAOYSA-N
XLogP3.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435355
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 134010431
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 134060036
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 46571303
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46571515
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9307279
2-(4-benzhydrylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 4235260
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818400
methyl 2-(2-chlorophenyl)-2-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]piperazin-1-yl]acetate
CID 55487876
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 46571540) is 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide is CC(c1ccccc1Cl)N1CCN(CC(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is BTMZWNWVYOPTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF2N3O/c1-14(16-4-2-3-5-17(16)21)26-10-8-25(9-11-26)13-20(27)24-19-7-6-15(22)12-18(19)23/h2-7,12,14H,8-11,13H2,1H3,(H,24,27).
What are the key properties of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 393.87 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 46571540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).