2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide

C27H31FN4O2 — CID 58190253

IUPAC2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)c2)CC1
InChIInChI=1S/C27H31FN4O2/c1-31-12-14-32(15-13-31)16-17-34-24-9-10-25(26(28)19-24)22-7-5-21(6-8-22)18-27(33)30-20-23-4-2-3-11-29-23/h2-11,19H,12-18,20H2,1H3,(H,30,33)
InChIKeyRPYDITVQSSLVTF-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.37
Rot. Bonds9

About 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide

2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 58190253) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID58190253
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC Name2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)c2)CC1
InChIInChI=1S/C27H31FN4O2/c1-31-12-14-32(15-13-31)16-17-34-24-9-10-25(26(28)19-24)22-7-5-21(6-8-22)18-27(33)30-20-23-4-2-3-11-29-23/h2-11,19H,12-18,20H2,1H3,(H,30,33)
InChIKeyRPYDITVQSSLVTF-UHFFFAOYSA-N
XLogP3.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)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 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide (CID 58190253) is 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide is CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)c2)CC1.
What is the InChIKey of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is RPYDITVQSSLVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c1-31-12-14-32(15-13-31)16-17-34-24-9-10-25(26(28)19-24)22-7-5-21(6-8-22)18-27(33)30-20-23-4-2-3-11-29-23/h2-11,19H,12-18,20H2,1H3,(H,30,33).
What are the key properties of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 462.57 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 58190253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).