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

C19H18F2N4O2 — CID 12972833

IUPAC1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea
SMILESCC1(C)CC(c2ccccc2NC(=O)Nc2ccc(F)cc2F)=NNC1=O
InChIInChI=1S/C19H18F2N4O2/c1-19(2)10-16(24-25-17(19)26)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,25,26)(H2,22,23,27)
InChIKeyNTKQQVJNALLDGF-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.86
Rot. Bonds3

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

1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea (PubChem CID 12972833) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea
PubChem CID12972833
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea
SMILESCC1(C)CC(c2ccccc2NC(=O)Nc2ccc(F)cc2F)=NNC1=O
InChIInChI=1S/C19H18F2N4O2/c1-19(2)10-16(24-25-17(19)26)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,25,26)(H2,22,23,27)
InChIKeyNTKQQVJNALLDGF-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea (CID 12972833) is 1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea is CC1(C)CC(c2ccccc2NC(=O)Nc2ccc(F)cc2F)=NNC1=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea?
The InChIKey is NTKQQVJNALLDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-19(2)10-16(24-25-17(19)26)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,25,26)(H2,22,23,27).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea?
1-(2,4-difluorophenyl)-3-[2-(5,5-dimethyl-6-oxo-1,4-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-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 12972833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).