2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide

C13H12ClN3O — CID 154875995

IUPAC2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
SMILESCc1ccnnc1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O/c1-9-5-6-15-17-13(9)16-12(18)8-10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyZNGNXXLXHHJCCJ-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.62
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide

2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide (PubChem CID 154875995) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
PubChem CID154875995
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
SMILESCc1ccnnc1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O/c1-9-5-6-15-17-13(9)16-12(18)8-10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyZNGNXXLXHHJCCJ-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide
CID 35537998
N-(1-benzylpyrazol-3-yl)-2-(3-chlorophenyl)acetamide
CID 145965046
(S)-2-(4-chlorophenyl)-3-methyl-N-(pyridazin-3-yl)butanamide
CID 46226161
2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
CID 154873539
3-chloro-N-{2-[(6-methylpyridazin-3-yl)amino]ethyl}benzamide
CID 44118014
2-(2-Chloro-6-fluorophenyl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 53601797
N-(6-chloro-5-phenylpyridazin-3-yl)benzamide
CID 71579985
N-(6-chloropyridazin-3-yl)-3-fluorobenzamide
CID 108461976
2-methyl-N-pyridazin-3-ylbenzamide
CID 118707923
2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 164619916
US9926282, Example 30
CID 145995140
N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 101515873

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide (CID 154875995) is 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide is Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide?
The InChIKey is ZNGNXXLXHHJCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9-5-6-15-17-13(9)16-12(18)8-10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,16,17,18).
What are the key properties of 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide?
2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide has a molecular weight of 261.71 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide is sourced from PubChem (CID 154875995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).