N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide

C21H23ClFN3O2 — CID 22263995

IUPACN-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NC(C(=O)N1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClFN3O2/c1-15(27)24-20(17-4-6-18(22)7-5-17)21(28)26-12-10-25(11-13-26)14-16-2-8-19(23)9-3-16/h2-9,20H,10-14H2,1H3,(H,24,27)
InChIKeyGIOOQTPIUUAYFA-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.00
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide

N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 22263995) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID22263995
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC NameN-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NC(C(=O)N1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClFN3O2/c1-15(27)24-20(17-4-6-18(22)7-5-17)21(28)26-12-10-25(11-13-26)14-16-2-8-19(23)9-3-16/h2-9,20H,10-14H2,1H3,(H,24,27)
InChIKeyGIOOQTPIUUAYFA-UHFFFAOYSA-N
XLogP3.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide (CID 22263995) is N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)NC(C(=O)N1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is GIOOQTPIUUAYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c1-15(27)24-20(17-4-6-18(22)7-5-17)21(28)26-12-10-25(11-13-26)14-16-2-8-19(23)9-3-16/h2-9,20H,10-14H2,1H3,(H,24,27).
What are the key properties of N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 403.89 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 22263995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).