1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea

C18H14Cl2N4O2 — CID 43991264

IUPAC1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nn1
InChIInChI=1S/C18H14Cl2N4O2/c1-26-17-9-8-15(23-24-17)11-2-5-13(6-3-11)21-18(25)22-16-7-4-12(19)10-14(16)20/h2-10H,1H3,(H2,21,22,25)
InChIKeyDCAYVLHBYUCTNL-UHFFFAOYSA-N
MW389.24 g/mol
LogP5.10
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea

1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea (PubChem CID 43991264) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
PubChem CID43991264
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nn1
InChIInChI=1S/C18H14Cl2N4O2/c1-26-17-9-8-15(23-24-17)11-2-5-13(6-3-11)21-18(25)22-16-7-4-12(19)10-14(16)20/h2-10H,1H3,(H2,21,22,25)
InChIKeyDCAYVLHBYUCTNL-UHFFFAOYSA-N
XLogP5.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.24
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991246
1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991114
1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991272
1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991234
3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593570
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea
CID 155816911
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
N-(2,4-dichlorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200683
1-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dichlorophenyl)urea
CID 43992316
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea
CID 2738352
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea (CID 43991264) is 1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea is COc1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nn1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The InChIKey is DCAYVLHBYUCTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-26-17-9-8-15(23-24-17)11-2-5-13(6-3-11)21-18(25)22-16-7-4-12(19)10-14(16)20/h2-10H,1H3,(H2,21,22,25).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea has a molecular weight of 389.24 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43991264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).