N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide

C25H26FN3O2 — CID 166166341

IUPACN-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cccc(N4CCNC[C@H]4C)c3)c2O)cc1F
InChIInChI=1S/C25H26FN3O2/c1-16-15-27-11-12-29(16)20-6-3-5-18(13-20)21-7-4-8-22(25(21)31)19-9-10-24(23(26)14-19)28-17(2)30/h3-10,13-14,16,27,31H,11-12,15H2,1-2H3,(H,28,30)/t16-/m1/s1
InChIKeyWWFZQDLBNZUYEZ-MRXNPFEDSA-N
MW419.50 g/mol
LogP4.62
Rot. Bonds4

About N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide

N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide (PubChem CID 166166341) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide
PubChem CID166166341
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cccc(N4CCNC[C@H]4C)c3)c2O)cc1F
InChIInChI=1S/C25H26FN3O2/c1-16-15-27-11-12-29(16)20-6-3-5-18(13-20)21-7-4-8-22(25(21)31)19-9-10-24(23(26)14-19)28-17(2)30/h3-10,13-14,16,27,31H,11-12,15H2,1-2H3,(H,28,30)/t16-/m1/s1
InChIKeyWWFZQDLBNZUYEZ-MRXNPFEDSA-N
XLogP4.62
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide (CID 166166341) is N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cccc(N4CCNC[C@H]4C)c3)c2O)cc1F.
What is the InChIKey of N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide?
The InChIKey is WWFZQDLBNZUYEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-16-15-27-11-12-29(16)20-6-3-5-18(13-20)21-7-4-8-22(25(21)31)19-9-10-24(23(26)14-19)28-17(2)30/h3-10,13-14,16,27,31H,11-12,15H2,1-2H3,(H,28,30)/t16-/m1/s1.
What are the key properties of N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide?
N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide has a molecular weight of 419.50 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 166166341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).