1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea

C19H18F2N4O2 — CID 504362

IUPAC1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
SMILESCC1(C)CC(=O)NN=C1c1ccccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H18F2N4O2/c1-19(2)10-16(26)24-25-17(19)12-5-3-4-6-14(12)22-18(27)23-15-8-7-11(20)9-13(15)21/h3-9H,10H2,1-2H3,(H,24,26)(H2,22,23,27)
InChIKeyJDQGRZPHZOSDPP-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.86
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea

1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea (PubChem CID 504362) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
PubChem CID504362
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
SMILESCC1(C)CC(=O)NN=C1c1ccccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H18F2N4O2/c1-19(2)10-16(26)24-25-17(19)12-5-3-4-6-14(12)22-18(27)23-15-8-7-11(20)9-13(15)21/h3-9H,10H2,1-2H3,(H,24,26)(H2,22,23,27)
InChIKeyJDQGRZPHZOSDPP-UHFFFAOYSA-N
XLogP3.86
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea with MolForge

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Related Compounds

1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea
CID 59993041
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea
CID 104620541
1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea
CID 114696666
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
CID 1450122
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea (CID 504362) is 1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea is CC1(C)CC(=O)NN=C1c1ccccc1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
The InChIKey is JDQGRZPHZOSDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-19(2)10-16(26)24-25-17(19)12-5-3-4-6-14(12)22-18(27)23-15-8-7-11(20)9-13(15)21/h3-9H,10H2,1-2H3,(H,24,26)(H2,22,23,27).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea has a molecular weight of 372.38 g/mol, XLogP of 3.86, 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-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 504362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).