N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide

C22H18F5N3O2 — CID 159216015

IUPACN-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(C(C)(F)F)cc1)n1nc(-c2ccc(C(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C22H18F5N3O2/c1-13(20(32)28-17-9-7-15(8-10-17)21(2,23)24)30-19(31)12-11-18(29-30)14-3-5-16(6-4-14)22(25,26)27/h3-13H,1-2H3,(H,28,32)
InChIKeyUFORSVRYJHIUKL-UHFFFAOYSA-N
MW451.40 g/mol
LogP5.24
Rot. Bonds5

About N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide

N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide (PubChem CID 159216015) has the molecular formula C22H18F5N3O2 and a molecular weight of 451.40 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide
PubChem CID159216015
Molecular FormulaC22H18F5N3O2
Molecular Weight451.40 g/mol
Exact Mass451.13
IUPAC NameN-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(C(C)(F)F)cc1)n1nc(-c2ccc(C(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C22H18F5N3O2/c1-13(20(32)28-17-9-7-15(8-10-17)21(2,23)24)30-19(31)12-11-18(29-30)14-3-5-16(6-4-14)22(25,26)27/h3-13H,1-2H3,(H,28,32)
InChIKeyUFORSVRYJHIUKL-UHFFFAOYSA-N
XLogP5.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide 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

N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 121075835
2-[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 134475470
2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 134481227
2-[3-(4-cyclopropylphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide;ethane;molecular hydrogen;2-[6-oxo-3-[2-(trifluoromethyl)phenyl]pyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 142338860
N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide
CID 158133714
N-[4-(1,1-difluoroethyl)-2-fluorophenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 158133710
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
(2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 40640805
(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27262351
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 127043901
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101317

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide?
The IUPAC name of N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide (CID 159216015) is N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide.
What is the SMILES notation for N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide?
The canonical SMILES for N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide is CC(C(=O)Nc1ccc(C(C)(F)F)cc1)n1nc(-c2ccc(C(F)(F)F)cc2)ccc1=O.
What is the InChIKey of N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide?
The InChIKey is UFORSVRYJHIUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F5N3O2/c1-13(20(32)28-17-9-7-15(8-10-17)21(2,23)24)30-19(31)12-11-18(29-30)14-3-5-16(6-4-14)22(25,26)27/h3-13H,1-2H3,(H,28,32).
What are the key properties of N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide?
N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide has a molecular weight of 451.40 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide is sourced from PubChem (CID 159216015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).