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

C19H18Cl2N4O2 — CID 59993014

IUPAC1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
SMILESCC1(C)CC(=O)NN=C1c1cccc(NC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H18Cl2N4O2/c1-19(2)10-15(26)24-25-17(19)11-5-3-6-12(9-11)22-18(27)23-16-13(20)7-4-8-14(16)21/h3-9H,10H2,1-2H3,(H,24,26)(H2,22,23,27)
InChIKeyQNUSWKBHCOYXSX-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.89
Rot. Bonds3

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

1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea (PubChem CID 59993014) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
PubChem CID59993014
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Name1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
SMILESCC1(C)CC(=O)NN=C1c1cccc(NC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H18Cl2N4O2/c1-19(2)10-15(26)24-25-17(19)11-5-3-6-12(9-11)22-18(27)23-16-13(20)7-4-8-14(16)21/h3-9H,10H2,1-2H3,(H,24,26)(H2,22,23,27)
InChIKeyQNUSWKBHCOYXSX-UHFFFAOYSA-N
XLogP4.89
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dichlorophenyl)-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-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 59993013
1-(3,4-dihydroxyphenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 142201001
1-(3-chloro-4-fluorophenyl)-3-[3-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)phenyl]urea
CID 511442
1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
CID 4224094
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 107049046
1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
CID 108896576
1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
CID 135376465
1-(3-chlorophenyl)-3-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)urea
CID 30378122
ethyl (6R)-6-[3-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 93098830
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea (CID 59993014) is 1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea is CC1(C)CC(=O)NN=C1c1cccc(NC(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
The InChIKey is QNUSWKBHCOYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-19(2)10-15(26)24-25-17(19)11-5-3-6-12(9-11)22-18(27)23-16-13(20)7-4-8-14(16)21/h3-9H,10H2,1-2H3,(H,24,26)(H2,22,23,27).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea?
1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea has a molecular weight of 405.29 g/mol, XLogP of 4.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 59993014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).