2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide

C16H16F3N3O3 — CID 121079751

IUPAC2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
SMILESCC(C(=O)NCCOc1cccc(C(F)(F)F)c1)n1ncccc1=O
InChIInChI=1S/C16H16F3N3O3/c1-11(22-14(23)6-3-7-21-22)15(24)20-8-9-25-13-5-2-4-12(10-13)16(17,18)19/h2-7,10-11H,8-9H2,1H3,(H,20,24)
InChIKeyZHUJRBMFACDQAO-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.02
Rot. Bonds6

About 2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide

2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide (PubChem CID 121079751) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
PubChem CID121079751
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
SMILESCC(C(=O)NCCOc1cccc(C(F)(F)F)c1)n1ncccc1=O
InChIInChI=1S/C16H16F3N3O3/c1-11(22-14(23)6-3-7-21-22)15(24)20-8-9-25-13-5-2-4-12(10-13)16(17,18)19/h2-7,10-11H,8-9H2,1H3,(H,20,24)
InChIKeyZHUJRBMFACDQAO-UHFFFAOYSA-N
XLogP2.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638
2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119736730
(2S)-2-amino-3,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 119736716
3-(2-methylpropyl)-4-oxo-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]phthalazine-1-carboxamide
CID 55803155
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 85462760
3-amino-2-methyl-3-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119736709
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenoxy]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51120496
N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide
CID 63237279
1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol
CID 2977000
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
2-[methyl-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]amino]propanoic acid
CID 119912627

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
The IUPAC name of 2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide (CID 121079751) is 2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide.
What is the SMILES notation for 2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
The canonical SMILES for 2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide is CC(C(=O)NCCOc1cccc(C(F)(F)F)c1)n1ncccc1=O.
What is the InChIKey of 2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
The InChIKey is ZHUJRBMFACDQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-11(22-14(23)6-3-7-21-22)15(24)20-8-9-25-13-5-2-4-12(10-13)16(17,18)19/h2-7,10-11H,8-9H2,1H3,(H,20,24).
What are the key properties of 2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide has a molecular weight of 355.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide is sourced from PubChem (CID 121079751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).