N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

C20H17F2N3O2 — CID 16884434

IUPACN-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H17F2N3O2/c21-15-8-9-18(16(22)13-15)23-19(26)7-4-12-25-20(27)11-10-17(24-25)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,23,26)
InChIKeyGZSIQBJSOSLNJX-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.61
Rot. Bonds6

About N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (PubChem CID 16884434) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
PubChem CID16884434
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC NameN-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H17F2N3O2/c21-15-8-9-18(16(22)13-15)23-19(26)7-4-12-25-20(27)11-10-17(24-25)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,23,26)
InChIKeyGZSIQBJSOSLNJX-UHFFFAOYSA-N
XLogP3.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide
CID 16884849
N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885211
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884517
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 16884961
N-(1,3-benzothiazol-2-yl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884924
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884456
4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885013

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (CID 16884434) is N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The InChIKey is GZSIQBJSOSLNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-15-8-9-18(16(22)13-15)23-19(26)7-4-12-25-20(27)11-10-17(24-25)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,23,26).
What are the key properties of N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide has a molecular weight of 369.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is sourced from PubChem (CID 16884434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).