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

C14H13Cl2N3O2 — CID 2701052

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccccc1
InChIInChI=1S/C14H13Cl2N3O2/c1-9(10-5-3-2-4-6-10)18-12(20)8-19-14(21)13(16)11(15)7-17-19/h2-7,9H,8H2,1H3,(H,18,20)/t9-/m1/s1
InChIKeyYDQKORZZFZHSTL-SECBINFHSA-N
MW326.18 g/mol
LogP2.43
Rot. Bonds4

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

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 2701052) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID2701052
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccccc1
InChIInChI=1S/C14H13Cl2N3O2/c1-9(10-5-3-2-4-6-10)18-12(20)8-19-14(21)13(16)11(15)7-17-19/h2-7,9H,8H2,1H3,(H,18,20)/t9-/m1/s1
InChIKeyYDQKORZZFZHSTL-SECBINFHSA-N
XLogP2.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2585112
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7844572
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-thiophen-2-ylethyl]acetamide
CID 8862252
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2585062
N-butan-2-yl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 18776930
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-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8862090
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 169098828
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 2585171

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide (CID 2701052) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccccc1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is YDQKORZZFZHSTL-SECBINFHSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-9(10-5-3-2-4-6-10)18-12(20)8-19-14(21)13(16)11(15)7-17-19/h2-7,9H,8H2,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 326.18 g/mol, XLogP of 2.43, 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-phenylethyl]acetamide is sourced from PubChem (CID 2701052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).