2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide

C12H10ClN3O2 — CID 7659802

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)10-5-6-12(18)16(15-10)7-11(14)17/h1-6H,7H2,(H2,14,17)
InChIKeyYHNAKWAGVHNTHG-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.05
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7659802) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7659802
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)10-5-6-12(18)16(15-10)7-11(14)17/h1-6H,7H2,(H2,14,17)
InChIKeyYHNAKWAGVHNTHG-UHFFFAOYSA-N
XLogP1.05
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Chlorophenyl)-2,3-dihydropyridazin-3-one
CID 689085
N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899834
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
ethyl 4-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}piperazine-1-carboxylate
CID 3239673
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
N-(2-chlorobenzyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4423409
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 3617297
[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetic acid
CID 4054537
N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 5046316

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 7659802) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is YHNAKWAGVHNTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)10-5-6-12(18)16(15-10)7-11(14)17/h1-6H,7H2,(H2,14,17).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 263.68 g/mol, XLogP of 1.05, 3 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-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7659802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).