N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide

C20H23F2N3O — CID 120756417

IUPACN-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H23F2N3O/c1-24(13-16-5-2-3-8-18(16)22)20(26)14-25-10-9-23-12-19(25)15-6-4-7-17(21)11-15/h2-8,11,19,23H,9-10,12-14H2,1H3
InChIKeyALVGPWVNJWPBMC-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.57
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide

N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 120756417) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
PubChem CID120756417
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H23F2N3O/c1-24(13-16-5-2-3-8-18(16)22)20(26)14-25-10-9-23-12-19(25)15-6-4-7-17(21)11-15/h2-8,11,19,23H,9-10,12-14H2,1H3
InChIKeyALVGPWVNJWPBMC-UHFFFAOYSA-N
XLogP2.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756349
N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756533
N-[(2-fluorophenyl)methyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-methylacetamide
CID 55827853
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120756974
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755989
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-[2-(2,6-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757114
3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 120756225
2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64980761
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide (CID 120756417) is N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CN1CCNCC1c1cccc(F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is ALVGPWVNJWPBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-24(13-16-5-2-3-8-18(16)22)20(26)14-25-10-9-23-12-19(25)15-6-4-7-17(21)11-15/h2-8,11,19,23H,9-10,12-14H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 359.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 120756417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).