1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea

C20H19ClN4O3 — CID 43991114

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
SMILESCCOc1ccc(-c2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nn1
InChIInChI=1S/C20H19ClN4O3/c1-3-28-19-11-9-16(24-25-19)13-4-7-15(8-5-13)22-20(26)23-17-12-14(21)6-10-18(17)27-2/h4-12H,3H2,1-2H3,(H2,22,23,26)
InChIKeyIJHIGQIZGVCXHB-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.85
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea (PubChem CID 43991114) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
PubChem CID43991114
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
SMILESCCOc1ccc(-c2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nn1
InChIInChI=1S/C20H19ClN4O3/c1-3-28-19-11-9-16(24-25-19)13-4-7-15(8-5-13)22-20(26)23-17-12-14(21)6-10-18(17)27-2/h4-12H,3H2,1-2H3,(H2,22,23,26)
InChIKeyIJHIGQIZGVCXHB-UHFFFAOYSA-N
XLogP4.85
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991264
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
CID 43991078
1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991121
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 7593667
2-(4-chlorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide
CID 8670504
1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991246
3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7596485
1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991234
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 121089818
1-(5-chloro-2-methoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 50753216

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea (CID 43991114) is 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea is CCOc1ccc(-c2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nn1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea?
The InChIKey is IJHIGQIZGVCXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-3-28-19-11-9-16(24-25-19)13-4-7-15(8-5-13)22-20(26)23-17-12-14(21)6-10-18(17)27-2/h4-12H,3H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea has a molecular weight of 398.85 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43991114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).