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

C19H18F2N4O2 — CID 59993013

IUPAC1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
SMILESCC1(C)CC(=O)NN=C1c1cccc(NC(=O)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C19H18F2N4O2/c1-19(2)10-16(26)24-25-17(19)11-4-3-5-14(6-11)22-18(27)23-15-8-12(20)7-13(21)9-15/h3-9H,10H2,1-2H3,(H,24,26)(H2,22,23,27)
InChIKeyXPCWNKDJCHMQBC-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.86
Rot. Bonds3

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

1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea (PubChem CID 59993013) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
PubChem CID59993013
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
SMILESCC1(C)CC(=O)NN=C1c1cccc(NC(=O)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C19H18F2N4O2/c1-19(2)10-16(26)24-25-17(19)11-4-3-5-14(6-11)22-18(27)23-15-8-12(20)7-13(21)9-15/h3-9H,10H2,1-2H3,(H,24,26)(H2,22,23,27)
InChIKeyXPCWNKDJCHMQBC-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-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea with MolForge

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Related Compounds

1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea
CID 59993026
1-(3,4-dihydroxyphenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 142201001
1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 59993014
1-(3-chloro-4-fluorophenyl)-3-[3-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)phenyl]urea
CID 511442
1-(2,4-difluorophenyl)-3-[2-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 504362
1-(2,4-difluorophenyl)-3-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea
CID 59993041
1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
CID 29042158
1-(3-aminophenyl)-3-(3-chloro-5-fluorophenyl)urea
CID 107367193
1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 118774705
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea
CID 162662588
1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
CID 146121634

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea (CID 59993013) is 1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea is CC1(C)CC(=O)NN=C1c1cccc(NC(=O)Nc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
The InChIKey is XPCWNKDJCHMQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-19(2)10-16(26)24-25-17(19)11-4-3-5-14(6-11)22-18(27)23-15-8-12(20)7-13(21)9-15/h3-9H,10H2,1-2H3,(H,24,26)(H2,22,23,27).
What are the key properties of 1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
1-(3,5-difluorophenyl)-3-[3-(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-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 59993013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).