2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide

C17H20ClN3O2 — CID 52898499

IUPAC2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O
InChIInChI=1S/C17H20ClN3O2/c1-12(2)9-10-19-16(22)11-21-17(23)8-7-15(20-21)13-5-3-4-6-14(13)18/h3-8,12H,9-11H2,1-2H3,(H,19,22)
InChIKeyJFLLFKFBDHATDN-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.73
Rot. Bonds6

About 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide

2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 52898499) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID52898499
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O
InChIInChI=1S/C17H20ClN3O2/c1-12(2)9-10-19-16(22)11-21-17(23)8-7-15(20-21)13-5-3-4-6-14(13)18/h3-8,12H,9-11H2,1-2H3,(H,19,22)
InChIKeyJFLLFKFBDHATDN-UHFFFAOYSA-N
XLogP2.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3238833
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
N-[(4-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 16031381
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[3-(diisobutylamino)propyl]acetamide
CID 16034255
N-{3-[butyl(methyl)amino]propyl}-2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968222
N-(2-chlorobenzyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4423409

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide (CID 52898499) is 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O.
What is the InChIKey of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is JFLLFKFBDHATDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12(2)9-10-19-16(22)11-21-17(23)8-7-15(20-21)13-5-3-4-6-14(13)18/h3-8,12H,9-11H2,1-2H3,(H,19,22).
What are the key properties of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 52898499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).