N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide

C22H21FN2O2 — CID 71089346

IUPACN-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(COCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H21FN2O2/c23-20-9-6-18(7-10-20)15-27-16-19-12-13-24-21(14-19)25-22(26)11-8-17-4-2-1-3-5-17/h1-7,9-10,12-14H,8,11,15-16H2,(H,24,25,26)
InChIKeyPUWUSQHJSRRILK-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.51
Rot. Bonds8

About N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide

N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide (PubChem CID 71089346) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide
PubChem CID71089346
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(COCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H21FN2O2/c23-20-9-6-18(7-10-20)15-27-16-19-12-13-24-21(14-19)25-22(26)11-8-17-4-2-1-3-5-17/h1-7,9-10,12-14H,8,11,15-16H2,(H,24,25,26)
InChIKeyPUWUSQHJSRRILK-UHFFFAOYSA-N
XLogP4.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide (CID 71089346) is N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(COCc2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide?
The InChIKey is PUWUSQHJSRRILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-20-9-6-18(7-10-20)15-27-16-19-12-13-24-21(14-19)25-22(26)11-8-17-4-2-1-3-5-17/h1-7,9-10,12-14H,8,11,15-16H2,(H,24,25,26).
What are the key properties of N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide?
N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide has a molecular weight of 364.42 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 71089346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).