1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea

C18H14ClFN4O2 — CID 43991272

IUPAC1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)Nc3c(F)cccc3Cl)cc2)nn1
InChIInChI=1S/C18H14ClFN4O2/c1-26-16-10-9-15(23-24-16)11-5-7-12(8-6-11)21-18(25)22-17-13(19)3-2-4-14(17)20/h2-10H,1H3,(H2,21,22,25)
InChIKeyNKZQYGAMTCDRDY-UHFFFAOYSA-N
MW372.79 g/mol
LogP4.59
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea

1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea (PubChem CID 43991272) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
PubChem CID43991272
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)Nc3c(F)cccc3Cl)cc2)nn1
InChIInChI=1S/C18H14ClFN4O2/c1-26-16-10-9-15(23-24-16)11-5-7-12(8-6-11)21-18(25)22-17-13(19)3-2-4-14(17)20/h2-10H,1H3,(H2,21,22,25)
InChIKeyNKZQYGAMTCDRDY-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-Fluorophenyl)-3-(3-(6-methoxypyridazin-3-yl)phenyl)urea
CID 25818662
1-(3,4-Difluorophenyl)-3-(3-(6-methoxypyridazin-3-yl)phenyl)urea
CID 25818665
1-(3-(6-Methoxypyridazin-3-yl)phenyl)-3-(p-tolyl)urea
CID 42109887
1-(4-Chlorophenyl)-3-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)urea
CID 42109947
1-(2-((6-(4-Fluorophenyl)pyridazin-3-yl)oxy)ethyl)-3-(p-tolyl)urea
CID 42109948
1-(3-Chlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 42109885
1-(5-Chloro-2-methoxyphenyl)-3-(4-(6-methoxypyridazin-3-yl)phenyl)urea
CID 43991250
1-(2-Chloro-4-methylphenyl)-3-(3-((6-methylpyridazin-3-yl)oxy)phenyl)urea
CID 49676100
2-chloro-6-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593582
phenyl N-[5-chloro-2-fluoro-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]phenyl]carbamate
CID 172564566
N-(2-chloro-6-fluorophenyl)-4-(6-(3-methoxyphenyl)pyridazin-3-yl)piperazine-1-carboxamide
CID 25841551
2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide
CID 43991057

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea (CID 43991272) is 1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea is COc1ccc(-c2ccc(NC(=O)Nc3c(F)cccc3Cl)cc2)nn1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The InChIKey is NKZQYGAMTCDRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-26-16-10-9-15(23-24-16)11-5-7-12(8-6-11)21-18(25)22-17-13(19)3-2-4-14(17)20/h2-10H,1H3,(H2,21,22,25).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
1-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43991272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).