N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide

C23H22F2N4O2 — CID 166167141

IUPACN-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(F)nc(N4CCNCC4)c3)c2O)cc1F
InChIInChI=1S/C23H22F2N4O2/c1-14(30)27-20-6-5-15(11-19(20)24)17-3-2-4-18(23(17)31)16-12-21(25)28-22(13-16)29-9-7-26-8-10-29/h2-6,11-13,26,31H,7-10H2,1H3,(H,27,30)
InChIKeyZZHDFEDWZCQTSK-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.77
Rot. Bonds4

About N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide

N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide (PubChem CID 166167141) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide
PubChem CID166167141
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC NameN-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(F)nc(N4CCNCC4)c3)c2O)cc1F
InChIInChI=1S/C23H22F2N4O2/c1-14(30)27-20-6-5-15(11-19(20)24)17-3-2-4-18(23(17)31)16-12-21(25)28-22(13-16)29-9-7-26-8-10-29/h2-6,11-13,26,31H,7-10H2,1H3,(H,27,30)
InChIKeyZZHDFEDWZCQTSK-UHFFFAOYSA-N
XLogP3.77
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide (CID 166167141) is N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(F)nc(N4CCNCC4)c3)c2O)cc1F.
What is the InChIKey of N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide?
The InChIKey is ZZHDFEDWZCQTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-14(30)27-20-6-5-15(11-19(20)24)17-3-2-4-18(23(17)31)16-12-21(25)28-22(13-16)29-9-7-26-8-10-29/h2-6,11-13,26,31H,7-10H2,1H3,(H,27,30).
What are the key properties of N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide?
N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide has a molecular weight of 424.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide is sourced from PubChem (CID 166167141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).