1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea

C18H14ClFN4O2 — CID 43991246

IUPAC1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nn1
InChIInChI=1S/C18H14ClFN4O2/c1-26-17-9-8-16(23-24-17)11-2-4-12(5-3-11)21-18(25)22-13-6-7-15(20)14(19)10-13/h2-10H,1H3,(H2,21,22,25)
InChIKeySNAYLNQCSXRUBQ-UHFFFAOYSA-N
MW372.79 g/mol
LogP4.59
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea

1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea (PubChem CID 43991246) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
PubChem CID43991246
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nn1
InChIInChI=1S/C18H14ClFN4O2/c1-26-17-9-8-16(23-24-17)11-2-4-12(5-3-11)21-18(25)22-13-6-7-15(20)14(19)10-13/h2-10H,1H3,(H2,21,22,25)
InChIKeySNAYLNQCSXRUBQ-UHFFFAOYSA-N
XLogP4.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991264
1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991272
1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991114
1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991234
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
3-(3,4-dichlorophenyl)-6-methoxypyridazine
CID 12833133
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
CID 43991078
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
CID 135376412

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea (CID 43991246) is 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea is COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nn1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The InChIKey is SNAYLNQCSXRUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-26-17-9-8-16(23-24-17)11-2-4-12(5-3-11)21-18(25)22-13-6-7-15(20)14(19)10-13/h2-10H,1H3,(H2,21,22,25).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea has a molecular weight of 372.79 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43991246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).