N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide

C24H23ClFN3O2 — CID 166165664

IUPACN-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc(Cl)c(N4CCNCC4)c3)c2O)cc1F
InChIInChI=1S/C24H23ClFN3O2/c1-15(30)28-22-8-6-16(13-21(22)26)18-3-2-4-19(24(18)31)17-5-7-20(25)23(14-17)29-11-9-27-10-12-29/h2-8,13-14,27,31H,9-12H2,1H3,(H,28,30)
InChIKeyWYAXTIFOZUSWLO-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.89
Rot. Bonds4

About N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide

N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide (PubChem CID 166165664) has the molecular formula C24H23ClFN3O2 and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
PubChem CID166165664
Molecular FormulaC24H23ClFN3O2
Molecular Weight439.92 g/mol
Exact Mass439.15
IUPAC NameN-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc(Cl)c(N4CCNCC4)c3)c2O)cc1F
InChIInChI=1S/C24H23ClFN3O2/c1-15(30)28-22-8-6-16(13-21(22)26)18-3-2-4-19(24(18)31)17-5-7-20(25)23(14-17)29-11-9-27-10-12-29/h2-8,13-14,27,31H,9-12H2,1H3,(H,28,30)
InChIKeyWYAXTIFOZUSWLO-UHFFFAOYSA-N
XLogP4.89
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide (CID 166165664) is N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3ccc(Cl)c(N4CCNCC4)c3)c2O)cc1F.
What is the InChIKey of N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The InChIKey is WYAXTIFOZUSWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2/c1-15(30)28-22-8-6-16(13-21(22)26)18-3-2-4-19(24(18)31)17-5-7-20(25)23(14-17)29-11-9-27-10-12-29/h2-8,13-14,27,31H,9-12H2,1H3,(H,28,30).
What are the key properties of N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide has a molecular weight of 439.92 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-chloro-3-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 166165664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).