N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide

C17H17F3N4O3 — CID 153348252

IUPACN-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide
SMILESCCO/C(N)=C(\CNC(=O)c1ccc(OC(F)F)c(F)c1)c1cccnn1
InChIInChI=1S/C17H17F3N4O3/c1-2-26-15(21)11(13-4-3-7-23-24-13)9-22-16(25)10-5-6-14(12(18)8-10)27-17(19)20/h3-8,17H,2,9,21H2,1H3,(H,22,25)/b15-11+
InChIKeyQMDKMIMXSWUYBB-RVDMUPIBSA-N
MW382.34 g/mol
LogP2.31
Rot. Bonds8

About N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide

N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide (PubChem CID 153348252) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide
PubChem CID153348252
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC NameN-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide
SMILESCCO/C(N)=C(\CNC(=O)c1ccc(OC(F)F)c(F)c1)c1cccnn1
InChIInChI=1S/C17H17F3N4O3/c1-2-26-15(21)11(13-4-3-7-23-24-13)9-22-16(25)10-5-6-14(12(18)8-10)27-17(19)20/h3-8,17H,2,9,21H2,1H3,(H,22,25)/b15-11+
InChIKeyQMDKMIMXSWUYBB-RVDMUPIBSA-N
XLogP2.31
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-N-{1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl}pyridazine-3-carboxamide
CID 132220088
(2-Fluoro-4-methoxyphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 53591568
1-(4-methoxybenzoyl)-4-[(5-methyl-1H-pyrazol-1-yl)acetyl]piperazine
CID 70706294
(3-fluoro-4-methoxyphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 118740038
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzamide
CID 1239399
4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propylbenzamide
CID 139236210
4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide
CID 139236211
4-butoxy-N-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)benzamide
CID 42352384
4-ethoxy-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)benzamide
CID 41527691
6-methoxy-N-(4-methoxybenzyl)pyridazine-3-carboxamide
CID 52417439
N-{[1-cyclopentyl-5-(pyridin-4-yl)-1H-pyrazol-3-yl]methyl}-4-(trifluoromethoxy)benzamide
CID 71797590
N-((1-methyl-5-(pyridin-2-yl)-1H-pyrazol-3-yl)methyl)-4-(trifluoromethoxy)benzamide
CID 71797649

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide?
The IUPAC name of N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide (CID 153348252) is N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide.
What is the SMILES notation for N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide?
The canonical SMILES for N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide is CCO/C(N)=C(\CNC(=O)c1ccc(OC(F)F)c(F)c1)c1cccnn1.
What is the InChIKey of N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide?
The InChIKey is QMDKMIMXSWUYBB-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-2-26-15(21)11(13-4-3-7-23-24-13)9-22-16(25)10-5-6-14(12(18)8-10)27-17(19)20/h3-8,17H,2,9,21H2,1H3,(H,22,25)/b15-11+.
What are the key properties of N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide?
N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide has a molecular weight of 382.34 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-amino-3-ethoxy-2-pyridazin-3-ylprop-2-enyl]-4-(difluoromethoxy)-3-fluorobenzamide is sourced from PubChem (CID 153348252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).