N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide

C25H23FN4O2 — CID 166166215

IUPACN-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(C#N)cc(N4CCNCC4)c3)c2O)cc1F
InChIInChI=1S/C25H23FN4O2/c1-16(31)29-24-6-5-18(14-23(24)26)21-3-2-4-22(25(21)32)19-11-17(15-27)12-20(13-19)30-9-7-28-8-10-30/h2-6,11-14,28,32H,7-10H2,1H3,(H,29,31)
InChIKeyRIQLGHCVMDMPIM-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.10
Rot. Bonds4

About N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide

N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide (PubChem CID 166166215) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
PubChem CID166166215
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC NameN-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(C#N)cc(N4CCNCC4)c3)c2O)cc1F
InChIInChI=1S/C25H23FN4O2/c1-16(31)29-24-6-5-18(14-23(24)26)21-3-2-4-22(25(21)32)19-11-17(15-27)12-20(13-19)30-9-7-28-8-10-30/h2-6,11-14,28,32H,7-10H2,1H3,(H,29,31)
InChIKeyRIQLGHCVMDMPIM-UHFFFAOYSA-N
XLogP4.10
TPSA88.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide (CID 166166215) is N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(C#N)cc(N4CCNCC4)c3)c2O)cc1F.
What is the InChIKey of N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The InChIKey is RIQLGHCVMDMPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16(31)29-24-6-5-18(14-23(24)26)21-3-2-4-22(25(21)32)19-11-17(15-27)12-20(13-19)30-9-7-28-8-10-30/h2-6,11-14,28,32H,7-10H2,1H3,(H,29,31).
What are the key properties of N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-cyano-5-piperazin-1-ylphenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 166166215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).