1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea

C18H15BrN4O2 — CID 56920749

IUPAC1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)nn1
InChIInChI=1S/C18H15BrN4O2/c1-12-2-11-17(23-22-12)25-16-9-7-15(8-10-16)21-18(24)20-14-5-3-13(19)4-6-14/h2-11H,1H3,(H2,20,21,24)
InChIKeyVKDSHPCMHIJBCH-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.98
Rot. Bonds4

About 1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea

1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea (PubChem CID 56920749) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
PubChem CID56920749
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)nn1
InChIInChI=1S/C18H15BrN4O2/c1-12-2-11-17(23-22-12)25-16-9-7-15(8-10-16)21-18(24)20-14-5-3-13(19)4-6-14/h2-11H,1H3,(H2,20,21,24)
InChIKeyVKDSHPCMHIJBCH-UHFFFAOYSA-N
XLogP4.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 56920163
N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide
CID 70703281
4-(6-methylpyridazin-3-yl)oxybenzamide
CID 175939264
5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid
CID 138043271
4-(6-methylpyridazin-3-yl)oxyphenol
CID 61312729
1-[(2S,6R)-2,6-dimethylcyclohexyl]-1-methyl-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 99812237
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305448
1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305444
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 70703505

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea (CID 56920749) is 1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea is Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)nn1.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea?
The InChIKey is VKDSHPCMHIJBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-12-2-11-17(23-22-12)25-16-9-7-15(8-10-16)21-18(24)20-14-5-3-13(19)4-6-14/h2-11H,1H3,(H2,20,21,24).
What are the key properties of 1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea?
1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea has a molecular weight of 399.25 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea is sourced from PubChem (CID 56920749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).