1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

C14H14F2N4O2 — CID 30860667

IUPAC1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESO=C(NCCCn1ncccc1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H14F2N4O2/c15-10-4-5-12(11(16)9-10)19-14(22)17-6-2-8-20-13(21)3-1-7-18-20/h1,3-5,7,9H,2,6,8H2,(H2,17,19,22)
InChIKeyWLJKTUUYUUZPPA-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.73
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (PubChem CID 30860667) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
PubChem CID30860667
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESO=C(NCCCn1ncccc1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H14F2N4O2/c15-10-4-5-12(11(16)9-10)19-14(22)17-6-2-8-20-13(21)3-1-7-18-20/h1,3-5,7,9H,2,6,8H2,(H2,17,19,22)
InChIKeyWLJKTUUYUUZPPA-UHFFFAOYSA-N
XLogP1.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 24687838
1-(3-chloro-4-fluorophenyl)-3-(2-(6-oxopyridazin-1(6H)-yl)ethyl)urea
CID 30942544
N-(2-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 4780429
1-(3,4-Difluorophenyl)-3-[3-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)propyl]urea
CID 25882069
1-(2,5-Difluorophenyl)-3-[3-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)propyl]urea
CID 25882081
1-(2,4-Difluorophenyl)-3-{3-[3-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}urea
CID 25882231
1-(3,4-difluorophenyl)-3-(2-(6-oxopyridazin-1(6H)-yl)ethyl)urea
CID 30860379
1-(2-(6-oxopyridazin-1(6H)-yl)ethyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 30860390
1-(3-fluoro-4-methylphenyl)-3-(2-(6-oxopyridazin-1(6H)-yl)ethyl)urea
CID 30860399
1-(3,4-difluorophenyl)-3-(3-(6-oxopyridazin-1(6H)-yl)propyl)urea
CID 30860670
1-(3-fluorophenyl)-3-(3-(6-oxopyridazin-1(6H)-yl)propyl)urea
CID 30860678
1-(2,4-difluorophenyl)-3-(2-(6-oxopyridazin-1(6H)-yl)ethyl)urea
CID 30942494

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (CID 30860667) is 1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is O=C(NCCCn1ncccc1=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The InChIKey is WLJKTUUYUUZPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c15-10-4-5-12(11(16)9-10)19-14(22)17-6-2-8-20-13(21)3-1-7-18-20/h1,3-5,7,9H,2,6,8H2,(H2,17,19,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea has a molecular weight of 308.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is sourced from PubChem (CID 30860667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).