6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine

C18H14ClFN4O — CID 71890771

IUPAC6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine
SMILESCC(=NNc1ccc(Cl)nn1)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C18H14ClFN4O/c1-12(21-23-18-10-9-17(19)22-24-18)13-7-8-16(15(20)11-13)25-14-5-3-2-4-6-14/h2-11H,1H3,(H,23,24)
InChIKeyBYVGZPBHAFOZDZ-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.90
Rot. Bonds5

About 6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine

6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine (PubChem CID 71890771) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine
PubChem CID71890771
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine
SMILESCC(=NNc1ccc(Cl)nn1)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C18H14ClFN4O/c1-12(21-23-18-10-9-17(19)22-24-18)13-7-8-16(15(20)11-13)25-14-5-3-2-4-6-14/h2-11H,1H3,(H,23,24)
InChIKeyBYVGZPBHAFOZDZ-UHFFFAOYSA-N
XLogP4.90
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one
CID 94583588
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine
CID 29225172
1-[(E)-1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]-3-(2-methoxyethyl)urea
CID 95049801
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine
CID 141416558
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(4-phenoxyphenyl)ethylideneamino]methanamine
CID 133169350
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine
CID 2842007
2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6176095
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
CID 6062421
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline
CID 9014574

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine (CID 71890771) is 6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine is CC(=NNc1ccc(Cl)nn1)c1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of 6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine?
The InChIKey is BYVGZPBHAFOZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-12(21-23-18-10-9-17(19)22-24-18)13-7-8-16(15(20)11-13)25-14-5-3-2-4-6-14/h2-11H,1H3,(H,23,24).
What are the key properties of 6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine?
6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine has a molecular weight of 356.79 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine is sourced from PubChem (CID 71890771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).