N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide

C21H24FN3O2 — CID 113162185

IUPACN-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1F
InChIInChI=1S/C21H24FN3O2/c1-17(26)25(15-18-7-5-6-10-20(18)22)16-21(27)24-13-11-23(12-14-24)19-8-3-2-4-9-19/h2-10H,11-16H2,1H3
InChIKeyOGVRYUPNMMMQAG-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.52
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide

N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 113162185) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID113162185
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1F
InChIInChI=1S/C21H24FN3O2/c1-17(26)25(15-18-7-5-6-10-20(18)22)16-21(27)24-13-11-23(12-14-24)19-8-3-2-4-9-19/h2-10H,11-16H2,1H3
InChIKeyOGVRYUPNMMMQAG-UHFFFAOYSA-N
XLogP2.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113162197
N-[2-(2-fluorophenyl)ethyl]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113120951
N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113161012
N-(2-methylpropyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113158861
N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161416
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113163244
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide
CID 113161797
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113119116
N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113161360
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113163416
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide
CID 113161375

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 113162185) is N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is CC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is OGVRYUPNMMMQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-17(26)25(15-18-7-5-6-10-20(18)22)16-21(27)24-13-11-23(12-14-24)19-8-3-2-4-9-19/h2-10H,11-16H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 369.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 113162185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).