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

C19H15ClFN3O2 — CID 7659841

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O2/c20-15-5-3-14(4-6-15)17-9-10-19(26)24(23-17)12-18(25)22-11-13-1-7-16(21)8-2-13/h1-10H,11-12H2,(H,22,25)
InChIKeyXKEBHFOFKAXQFL-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.02
Rot. Bonds5

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

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 7659841) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID7659841
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O2/c20-15-5-3-14(4-6-15)17-9-10-19(26)24(23-17)12-18(25)22-11-13-1-7-16(21)8-2-13/h1-10H,11-12H2,(H,22,25)
InChIKeyXKEBHFOFKAXQFL-UHFFFAOYSA-N
XLogP3.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121051555
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 71946742
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51049102
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 51054627

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 7659841) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is XKEBHFOFKAXQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-15-5-3-14(4-6-15)17-9-10-19(26)24(23-17)12-18(25)22-11-13-1-7-16(21)8-2-13/h1-10H,11-12H2,(H,22,25).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 371.80 g/mol, XLogP of 3.02, 5 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]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 7659841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).