2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

C18H24ClN3O3 — CID 15997936

IUPAC2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C18H24ClN3O3/c1-13(2)25-11-3-10-20-17(23)12-22-18(24)9-8-16(21-22)14-4-6-15(19)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,20,23)
InChIKeyYKGMDSHQMOTMNC-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.60
Rot. Bonds8

About 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 15997936) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID15997936
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C18H24ClN3O3/c1-13(2)25-11-3-10-20-17(23)12-22-18(24)9-8-16(21-22)14-4-6-15(19)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,20,23)
InChIKeyYKGMDSHQMOTMNC-UHFFFAOYSA-N
XLogP2.60
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl [3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetate
CID 6624390
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 6375481
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3665845
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 16000055
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 16034248
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
2-[3-(4-Chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-[1,4]dioxan-2-ylmethyl-acetamide
CID 24792340
(E)-N-(2-(2-(4-chlorobenzylidene)hydrazinyl)-2-oxoethyl)-2-phenylacetamide
CID 9677719
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-methoxypropyl)propanamide
CID 5046318

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 15997936) is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is YKGMDSHQMOTMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-13(2)25-11-3-10-20-17(23)12-22-18(24)9-8-16(21-22)14-4-6-15(19)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 365.86 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 15997936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).