N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide

C26H27F2N3O3 — CID 25175462

IUPACN-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cn1
InChIInChI=1S/C26H27F2N3O3/c27-22-3-1-2-19(14-22)15-26(32)30-18-23-6-4-21(17-29-23)20-5-7-25(24(28)16-20)34-13-10-31-8-11-33-12-9-31/h1-7,14,16-17H,8-13,15,18H2,(H,30,32)
InChIKeyHBLMLYKVIGXGHT-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.60
Rot. Bonds9

About N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide

N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 25175462) has the molecular formula C26H27F2N3O3 and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide
PubChem CID25175462
Molecular FormulaC26H27F2N3O3
Molecular Weight467.52 g/mol
Exact Mass467.20
IUPAC NameN-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cn1
InChIInChI=1S/C26H27F2N3O3/c27-22-3-1-2-19(14-22)15-26(32)30-18-23-6-4-21(17-29-23)20-5-7-25(24(28)16-20)34-13-10-31-8-11-33-12-9-31/h1-7,14,16-17H,8-13,15,18H2,(H,30,32)
InChIKeyHBLMLYKVIGXGHT-UHFFFAOYSA-N
XLogP3.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide (CID 25175462) is N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NCc1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cn1.
What is the InChIKey of N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is HBLMLYKVIGXGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3/c27-22-3-1-2-19(14-22)15-26(32)30-18-23-6-4-21(17-29-23)20-5-7-25(24(28)16-20)34-13-10-31-8-11-33-12-9-31/h1-7,14,16-17H,8-13,15,18H2,(H,30,32).
What are the key properties of N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide?
N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 467.52 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 25175462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).