N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide

C23H23FN2O2 — CID 155514713

IUPACN-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide
SMILESO=C(CCc1ccc(OCc2ccncc2)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2/c24-21-6-1-19(2-7-21)13-16-26-23(27)10-5-18-3-8-22(9-4-18)28-17-20-11-14-25-15-12-20/h1-4,6-9,11-12,14-15H,5,10,13,16-17H2,(H,26,27)
InChIKeyHBKCAIHJZQFGPE-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.09
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide

N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide (PubChem CID 155514713) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide
PubChem CID155514713
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide
SMILESO=C(CCc1ccc(OCc2ccncc2)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2/c24-21-6-1-19(2-7-21)13-16-26-23(27)10-5-18-3-8-22(9-4-18)28-17-20-11-14-25-15-12-20/h1-4,6-9,11-12,14-15H,5,10,13,16-17H2,(H,26,27)
InChIKeyHBKCAIHJZQFGPE-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide (CID 155514713) is N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide is O=C(CCc1ccc(OCc2ccncc2)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide?
The InChIKey is HBKCAIHJZQFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-21-6-1-19(2-7-21)13-16-26-23(27)10-5-18-3-8-22(9-4-18)28-17-20-11-14-25-15-12-20/h1-4,6-9,11-12,14-15H,5,10,13,16-17H2,(H,26,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide has a molecular weight of 378.45 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 155514713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).