(2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide

C20H15F4N3O2 — CID 40640805

IUPAC(2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
SMILESCc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(F)c(F)cc(F)c3F)n2)cc1
InChIInChI=1S/C20H15F4N3O2/c1-10-3-5-12(6-4-10)15-7-8-16(28)27(26-15)11(2)20(29)25-19-17(23)13(21)9-14(22)18(19)24/h3-9,11H,1-2H3,(H,25,29)/t11-/m1/s1
InChIKeyDCVQWVFSZODGPW-LLVKDONJSA-N
MW405.35 g/mol
LogP3.97
Rot. Bonds4

About (2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide

(2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide (PubChem CID 40640805) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is (2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
PubChem CID40640805
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC Name(2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
SMILESCc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(F)c(F)cc(F)c3F)n2)cc1
InChIInChI=1S/C20H15F4N3O2/c1-10-3-5-12(6-4-10)15-7-8-16(28)27(26-15)11(2)20(29)25-19-17(23)13(21)9-14(22)18(19)24/h3-9,11H,1-2H3,(H,25,29)/t11-/m1/s1
InChIKeyDCVQWVFSZODGPW-LLVKDONJSA-N
XLogP3.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 25249770
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
N-(2,6-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744778
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 121075835
(2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 95118846
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101246
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 27245360
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 27244507
(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27262351
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19533585

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The IUPAC name of (2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide (CID 40640805) is (2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide is Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(F)c(F)cc(F)c3F)n2)cc1.
What is the InChIKey of (2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The InChIKey is DCVQWVFSZODGPW-LLVKDONJSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c1-10-3-5-12(6-4-10)15-7-8-16(28)27(26-15)11(2)20(29)25-19-17(23)13(21)9-14(22)18(19)24/h3-9,11H,1-2H3,(H,25,29)/t11-/m1/s1.
What are the key properties of (2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide?
(2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide has a molecular weight of 405.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide is sourced from PubChem (CID 40640805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).