2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

C24H32FN3O3 — CID 126465467

IUPAC2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC(C)(C)CO)CC1
InChIInChI=1S/C24H32FN3O3/c1-24(2,17-29)26-23(30)16-31-22-9-6-19(18-4-7-21(25)8-5-18)14-20(22)15-28-12-10-27(3)11-13-28/h4-9,14,29H,10-13,15-17H2,1-3H3,(H,26,30)
InChIKeyUMXYQAVRLSMFAJ-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.51
Rot. Bonds8

About 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 126465467) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
PubChem CID126465467
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC Name2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC(C)(C)CO)CC1
InChIInChI=1S/C24H32FN3O3/c1-24(2,17-29)26-23(30)16-31-22-9-6-19(18-4-7-21(25)8-5-18)14-20(22)15-28-12-10-27(3)11-13-28/h4-9,14,29H,10-13,15-17H2,1-3H3,(H,26,30)
InChIKeyUMXYQAVRLSMFAJ-UHFFFAOYSA-N
XLogP2.51
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (CID 126465467) is 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC(C)(C)CO)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The InChIKey is UMXYQAVRLSMFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-24(2,17-29)26-23(30)16-31-22-9-6-19(18-4-7-21(25)8-5-18)14-20(22)15-28-12-10-27(3)11-13-28/h4-9,14,29H,10-13,15-17H2,1-3H3,(H,26,30).
What are the key properties of 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 429.54 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 126465467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).