N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

C20H23FN4O2 — CID 2685243

IUPACN-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H23FN4O2/c21-17-8-4-5-9-18(17)25-12-10-24(11-13-25)15-19(26)23-20(27)22-14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,22,23,26,27)
InChIKeyZMHGVAHZZVMZSK-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.97
Rot. Bonds5

About N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 2685243) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID2685243
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H23FN4O2/c21-17-8-4-5-9-18(17)25-12-10-24(11-13-25)15-19(26)23-20(27)22-14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,22,23,26,27)
InChIKeyZMHGVAHZZVMZSK-UHFFFAOYSA-N
XLogP1.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (CID 2685243) is N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccccc2F)CC1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is ZMHGVAHZZVMZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-17-8-4-5-9-18(17)25-12-10-24(11-13-25)15-19(26)23-20(27)22-14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,22,23,26,27).
What are the key properties of N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2685243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).