1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea

C17H14F2N4O2 — CID 59993041

IUPAC1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea
SMILESO=C1CCC(c2cccc(NC(=O)Nc3ccc(F)cc3F)c2)=NN1
InChIInChI=1S/C17H14F2N4O2/c18-11-4-5-15(13(19)9-11)21-17(25)20-12-3-1-2-10(8-12)14-6-7-16(24)23-22-14/h1-5,8-9H,6-7H2,(H,23,24)(H2,20,21,25)
InChIKeyXYQIZCHFGVMHCJ-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.22
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea

1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea (PubChem CID 59993041) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea
PubChem CID59993041
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea
SMILESO=C1CCC(c2cccc(NC(=O)Nc3ccc(F)cc3F)c2)=NN1
InChIInChI=1S/C17H14F2N4O2/c18-11-4-5-15(13(19)9-11)21-17(25)20-12-3-1-2-10(8-12)14-6-7-16(24)23-22-14/h1-5,8-9H,6-7H2,(H,23,24)(H2,20,21,25)
InChIKeyXYQIZCHFGVMHCJ-UHFFFAOYSA-N
XLogP3.22
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
CID 47103689
3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
CID 6464794
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 59993013
1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 504362
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea
CID 108886039
1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450080
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea (CID 59993041) is 1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea is O=C1CCC(c2cccc(NC(=O)Nc3ccc(F)cc3F)c2)=NN1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea?
The InChIKey is XYQIZCHFGVMHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c18-11-4-5-15(13(19)9-11)21-17(25)20-12-3-1-2-10(8-12)14-6-7-16(24)23-22-14/h1-5,8-9H,6-7H2,(H,23,24)(H2,20,21,25).
What are the key properties of 1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea?
1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea has a molecular weight of 344.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 59993041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).