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

C24H24F2N2O3 — CID 70934294

IUPAC2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCOCCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2)c(F)c1
InChIInChI=1S/C24H24F2N2O3/c1-30-10-3-11-31-21-8-9-22(23(26)14-21)18-6-7-20(27-16-18)13-24(29)28-15-17-4-2-5-19(25)12-17/h2,4-9,12,14,16H,3,10-11,13,15H2,1H3,(H,28,29)
InChIKeyYLDPUXLCKDTOCZ-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.30
Rot. Bonds10

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

2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 70934294) has the molecular formula C24H24F2N2O3 and a molecular weight of 426.46 g/mol. Its IUPAC name is 2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID70934294
Molecular FormulaC24H24F2N2O3
Molecular Weight426.46 g/mol
Exact Mass426.18
IUPAC Name2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCOCCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2)c(F)c1
InChIInChI=1S/C24H24F2N2O3/c1-30-10-3-11-31-21-8-9-22(23(26)14-21)18-6-7-20(27-16-18)13-24(29)28-15-17-4-2-5-19(25)12-17/h2,4-9,12,14,16H,3,10-11,13,15H2,1H3,(H,28,29)
InChIKeyYLDPUXLCKDTOCZ-UHFFFAOYSA-N
XLogP4.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 24944841
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-pyridinyl]acetamide
CID 163790106
N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 59000643
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide
CID 159739530
2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 58795751
methyl 4-[4-[6-[2-(benzylamino)-2-oxoethyl]-3-pyridinyl]phenoxy]butanoate
CID 176892869
2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450470
2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen
CID 145496467
1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine
CID 130373316
2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450455
2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190300
2-[4-(2-fluoro-4-morpholin-4-yloxyphenyl)phenyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 59508388

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (CID 70934294) is 2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is COCCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2)c(F)c1.
What is the InChIKey of 2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is YLDPUXLCKDTOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3/c1-30-10-3-11-31-21-8-9-22(23(26)14-21)18-6-7-20(27-16-18)13-24(29)28-15-17-4-2-5-19(25)12-17/h2,4-9,12,14,16H,3,10-11,13,15H2,1H3,(H,28,29).
What are the key properties of 2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 426.46 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 70934294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).