N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

C15H18FN3O3 — CID 56713319

IUPACN-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESCC(NC(=O)CCC1=NNC(=O)CC1)c1ccc(O)c(F)c1
InChIInChI=1S/C15H18FN3O3/c1-9(10-2-5-13(20)12(16)8-10)17-14(21)6-3-11-4-7-15(22)19-18-11/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,17,21)(H,19,22)
InChIKeyPFPXRNYVKAWVER-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.75
Rot. Bonds5

About N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (PubChem CID 56713319) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
PubChem CID56713319
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC NameN-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESCC(NC(=O)CCC1=NNC(=O)CC1)c1ccc(O)c(F)c1
InChIInChI=1S/C15H18FN3O3/c1-9(10-2-5-13(20)12(16)8-10)17-14(21)6-3-11-4-7-15(22)19-18-11/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,17,21)(H,19,22)
InChIKeyPFPXRNYVKAWVER-UHFFFAOYSA-N
XLogP1.75
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The IUPAC name of N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (CID 56713319) is N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.
What is the SMILES notation for N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is CC(NC(=O)CCC1=NNC(=O)CC1)c1ccc(O)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The InChIKey is PFPXRNYVKAWVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-9(10-2-5-13(20)12(16)8-10)17-14(21)6-3-11-4-7-15(22)19-18-11/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,17,21)(H,19,22).
What are the key properties of N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide has a molecular weight of 307.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 56713319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).