N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide

C15H14ClN3O3 — CID 110223080

IUPACN-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide
SMILESCC1OCc2cc(=O)n(CC(=O)Nc3cccc(Cl)c3)nc21
InChIInChI=1S/C15H14ClN3O3/c1-9-15-10(8-22-9)5-14(21)19(18-15)7-13(20)17-12-4-2-3-11(16)6-12/h2-6,9H,7-8H2,1H3,(H,17,20)
InChIKeyAIUVBNBCHGEBEQ-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.13
Rot. Bonds3

About N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide

N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide (PubChem CID 110223080) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide
PubChem CID110223080
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide
SMILESCC1OCc2cc(=O)n(CC(=O)Nc3cccc(Cl)c3)nc21
InChIInChI=1S/C15H14ClN3O3/c1-9-15-10(8-22-9)5-14(21)19(18-15)7-13(20)17-12-4-2-3-11(16)6-12/h2-6,9H,7-8H2,1H3,(H,17,20)
InChIKeyAIUVBNBCHGEBEQ-UHFFFAOYSA-N
XLogP2.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide
CID 110223079
N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide
CID 95803082
ethyl 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 51369781
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50812888
N-(3-chlorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517277
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 5299196
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 121070024
N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033456
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 43647452
N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide
CID 177088713

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide (CID 110223080) is N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide is CC1OCc2cc(=O)n(CC(=O)Nc3cccc(Cl)c3)nc21.
What is the InChIKey of N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide?
The InChIKey is AIUVBNBCHGEBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-9-15-10(8-22-9)5-14(21)19(18-15)7-13(20)17-12-4-2-3-11(16)6-12/h2-6,9H,7-8H2,1H3,(H,17,20).
What are the key properties of N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide?
N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide has a molecular weight of 319.75 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 110223080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).