4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide

C15H14FN3O2 — CID 125462713

IUPAC4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C15H14FN3O2/c1-10-2-8-14(19-18-10)17-15(21)9-7-13(20)11-3-5-12(16)6-4-11/h2-6,8H,7,9H2,1H3,(H,17,19,21)
InChIKeyMGGPZTQVOVDEMJ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.53
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide

4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide (PubChem CID 125462713) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide
PubChem CID125462713
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C15H14FN3O2/c1-10-2-8-14(19-18-10)17-15(21)9-7-13(20)11-3-5-12(16)6-4-11/h2-6,8H,7,9H2,1H3,(H,17,19,21)
InChIKeyMGGPZTQVOVDEMJ-UHFFFAOYSA-N
XLogP2.53
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795547
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
4-(4-fluorophenyl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 51241875
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
2-chloro-N-(6-methylpyridazin-3-yl)acetamide
CID 166407156
4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide
CID 9163716
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108807071
N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 78840816
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide (CID 125462713) is 4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)nn1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide?
The InChIKey is MGGPZTQVOVDEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-10-2-8-14(19-18-10)17-15(21)9-7-13(20)11-3-5-12(16)6-4-11/h2-6,8H,7,9H2,1H3,(H,17,19,21).
What are the key properties of 4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide?
4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide has a molecular weight of 287.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide is sourced from PubChem (CID 125462713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).