N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide

C27H23F2N3O3 — CID 158133714

IUPACN-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide
SMILESCOc1cccc(-c2ccc(=O)n(C(C(=O)Nc3ccc(C(C)(F)F)cc3)c3ccccc3)n2)c1
InChIInChI=1S/C27H23F2N3O3/c1-27(28,29)20-11-13-21(14-12-20)30-26(34)25(18-7-4-3-5-8-18)32-24(33)16-15-23(31-32)19-9-6-10-22(17-19)35-2/h3-17,25H,1-2H3,(H,30,34)
InChIKeyYKAKOHBIYPMELA-UHFFFAOYSA-N
MW475.50 g/mol
LogP5.26
Rot. Bonds7

About N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide

N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide (PubChem CID 158133714) has the molecular formula C27H23F2N3O3 and a molecular weight of 475.50 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide
PubChem CID158133714
Molecular FormulaC27H23F2N3O3
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC NameN-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide
SMILESCOc1cccc(-c2ccc(=O)n(C(C(=O)Nc3ccc(C(C)(F)F)cc3)c3ccccc3)n2)c1
InChIInChI=1S/C27H23F2N3O3/c1-27(28,29)20-11-13-21(14-12-20)30-26(34)25(18-7-4-3-5-8-18)32-24(33)16-15-23(31-32)19-9-6-10-22(17-19)35-2/h3-17,25H,1-2H3,(H,30,34)
InChIKeyYKAKOHBIYPMELA-UHFFFAOYSA-N
XLogP5.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,1-difluoroethyl)-2-fluorophenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 158133710
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 139389914
N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide
CID 159216015
6-(3-methoxyphenyl)-2-[2-oxo-1-[4-(trifluoromethyl)phenyl]pentan-3-yl]pyridazin-3-one
CID 158719870
(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623281
2-[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 134475470
6-(3-methoxyphenyl)-2-[3-oxo-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pyridazin-3-one
CID 157415300
3-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide
CID 51366015
2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one
CID 51044276
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide (CID 158133714) is N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide is COc1cccc(-c2ccc(=O)n(C(C(=O)Nc3ccc(C(C)(F)F)cc3)c3ccccc3)n2)c1.
What is the InChIKey of N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide?
The InChIKey is YKAKOHBIYPMELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N3O3/c1-27(28,29)20-11-13-21(14-12-20)30-26(34)25(18-7-4-3-5-8-18)32-24(33)16-15-23(31-32)19-9-6-10-22(17-19)35-2/h3-17,25H,1-2H3,(H,30,34).
What are the key properties of N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide?
N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide has a molecular weight of 475.50 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 158133714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).