2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide

C23H23FN4O3 — CID 43991949

IUPAC2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C23H23FN4O3/c1-16(31-20-7-3-5-18(24)15-20)23(29)25-19-6-2-4-17(14-19)21-8-9-22(27-26-21)28-10-12-30-13-11-28/h2-9,14-16H,10-13H2,1H3,(H,25,29)
InChIKeyPCTRADULSMOSDS-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.53
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide

2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 43991949) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID43991949
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C23H23FN4O3/c1-16(31-20-7-3-5-18(24)15-20)23(29)25-19-6-2-4-17(14-19)21-8-9-22(27-26-21)28-10-12-30-13-11-28/h2-9,14-16H,10-13H2,1H3,(H,25,29)
InChIKeyPCTRADULSMOSDS-UHFFFAOYSA-N
XLogP3.53
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide (CID 43991949) is 2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide is CC(Oc1cccc(F)c1)C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is PCTRADULSMOSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-16(31-20-7-3-5-18(24)15-20)23(29)25-19-6-2-4-17(14-19)21-8-9-22(27-26-21)28-10-12-30-13-11-28/h2-9,14-16H,10-13H2,1H3,(H,25,29).
What are the key properties of 2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 422.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 43991949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).