2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide

C19H16FN3O2 — CID 52915331

IUPAC2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide
SMILESCC(C(=O)Nc1cnccn1)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O2/c1-13(19(24)23-18-12-21-10-11-22-18)14-2-6-16(7-3-14)25-17-8-4-15(20)5-9-17/h2-13H,1H3,(H,22,23,24)
InChIKeyHHMPZOBAIMMPST-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.15
Rot. Bonds5

About 2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide

2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide (PubChem CID 52915331) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide
PubChem CID52915331
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide
SMILESCC(C(=O)Nc1cnccn1)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O2/c1-13(19(24)23-18-12-21-10-11-22-18)14-2-6-16(7-3-14)25-17-8-4-15(20)5-9-17/h2-13H,1H3,(H,22,23,24)
InChIKeyHHMPZOBAIMMPST-UHFFFAOYSA-N
XLogP4.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide?
The IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide (CID 52915331) is 2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide?
The canonical SMILES for 2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide is CC(C(=O)Nc1cnccn1)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide?
The InChIKey is HHMPZOBAIMMPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-13(19(24)23-18-12-21-10-11-22-18)14-2-6-16(7-3-14)25-17-8-4-15(20)5-9-17/h2-13H,1H3,(H,22,23,24).
What are the key properties of 2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide?
2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide has a molecular weight of 337.35 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide is sourced from PubChem (CID 52915331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).