4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one

C18H12Cl3F2N3O2 — CID 60503702

IUPAC4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NCC(O)c2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C18H12Cl3F2N3O2/c19-12-6-10(26-18(28)17(21)13(20)7-25-26)2-4-15(12)24-8-16(27)11-3-1-9(22)5-14(11)23/h1-7,16,24,27H,8H2
InChIKeyXZVVMOJFHWUANW-UHFFFAOYSA-N
MW446.67 g/mol
LogP4.62
Rot. Bonds5

About 4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one

4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one (PubChem CID 60503702) has the molecular formula C18H12Cl3F2N3O2 and a molecular weight of 446.67 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one
PubChem CID60503702
Molecular FormulaC18H12Cl3F2N3O2
Molecular Weight446.67 g/mol
Exact Mass445.00
IUPAC Name4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NCC(O)c2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C18H12Cl3F2N3O2/c19-12-6-10(26-18(28)17(21)13(20)7-25-26)2-4-15(12)24-8-16(27)11-3-1-9(22)5-14(11)23/h1-7,16,24,27H,8H2
InChIKeyXZVVMOJFHWUANW-UHFFFAOYSA-N
XLogP4.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.67
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-2-[3-chloro-4-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]phenyl]pyridazin-3-one
CID 52676662
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CID 133329815
4,5-dichloro-2-[3-chloro-4-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]phenyl]pyridazin-3-one
CID 60570051
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CID 133311873
4-chloro-2-(2,4-difluorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323503
2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol
CID 103478900
methyl N-[4-[[2-chloro-4-(4,5-dichloro-6-oxopyridazin-1-yl)anilino]methyl]phenyl]carbamate
CID 60504841
4,5-dichloro-2-[3-chloro-4-(cyclopent-3-en-1-ylamino)phenyl]pyridazin-3-one
CID 133362231
4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one
CID 56585215
4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one
CID 133305667
4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one
CID 112841181
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one (CID 60503702) is 4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(NCC(O)c2ccc(F)cc2F)c(Cl)c1.
What is the InChIKey of 4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one?
The InChIKey is XZVVMOJFHWUANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3F2N3O2/c19-12-6-10(26-18(28)17(21)13(20)7-25-26)2-4-15(12)24-8-16(27)11-3-1-9(22)5-14(11)23/h1-7,16,24,27H,8H2.
What are the key properties of 4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one?
4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one has a molecular weight of 446.67 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[3-chloro-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]phenyl]pyridazin-3-one is sourced from PubChem (CID 60503702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).