2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C14H12Cl2FN3O2 — CID 2585112

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1
InChIInChI=1S/C14H12Cl2FN3O2/c1-8(9-2-4-10(17)5-3-9)19-12(21)7-20-14(22)13(16)11(15)6-18-20/h2-6,8H,7H2,1H3,(H,19,21)/t8-/m1/s1
InChIKeyQYBRPFOYMJKQEC-MRVPVSSYSA-N
MW344.17 g/mol
LogP2.57
Rot. Bonds4

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 2585112) has the molecular formula C14H12Cl2FN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID2585112
Molecular FormulaC14H12Cl2FN3O2
Molecular Weight344.17 g/mol
Exact Mass343.03
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1
InChIInChI=1S/C14H12Cl2FN3O2/c1-8(9-2-4-10(17)5-3-9)19-12(21)7-20-14(22)13(16)11(15)6-18-20/h2-6,8H,7H2,1H3,(H,19,21)/t8-/m1/s1
InChIKeyQYBRPFOYMJKQEC-MRVPVSSYSA-N
XLogP2.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide 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

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7844572
N-butan-2-yl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 18776930
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2585062
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8862252
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8862244
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8862090
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 46605787
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9492221
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 2585171
4,5-dichloro-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridazin-3-one
CID 8862790
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 9410281

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 2585112) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is QYBRPFOYMJKQEC-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12Cl2FN3O2/c1-8(9-2-4-10(17)5-3-9)19-12(21)7-20-14(22)13(16)11(15)6-18-20/h2-6,8H,7H2,1H3,(H,19,21)/t8-/m1/s1.
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 344.17 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2585112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).