6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide

C19H15Cl2FN4O2 — CID 44553914

IUPAC6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide
SMILESCC(Oc1cc(C(=O)Nc2ccccc2)nnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H15Cl2FN4O2/c1-10(16-12(20)7-8-13(22)17(16)21)28-15-9-14(25-26-18(15)23)19(27)24-11-5-3-2-4-6-11/h2-10H,1H3,(H2,23,26)(H,24,27)
InChIKeyXJEIBDQLDHAXEE-UHFFFAOYSA-N
MW421.26 g/mol
LogP4.90
Rot. Bonds5

About 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide

6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide (PubChem CID 44553914) has the molecular formula C19H15Cl2FN4O2 and a molecular weight of 421.26 g/mol. Its IUPAC name is 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide
PubChem CID44553914
Molecular FormulaC19H15Cl2FN4O2
Molecular Weight421.26 g/mol
Exact Mass420.06
IUPAC Name6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide
SMILESCC(Oc1cc(C(=O)Nc2ccccc2)nnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H15Cl2FN4O2/c1-10(16-12(20)7-8-13(22)17(16)21)28-15-9-14(25-26-18(15)23)19(27)24-11-5-3-2-4-6-11/h2-10H,1H3,(H2,23,26)(H,24,27)
InChIKeyXJEIBDQLDHAXEE-UHFFFAOYSA-N
XLogP4.90
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.26
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide (CID 44553914) is 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide is CC(Oc1cc(C(=O)Nc2ccccc2)nnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide?
The InChIKey is XJEIBDQLDHAXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN4O2/c1-10(16-12(20)7-8-13(22)17(16)21)28-15-9-14(25-26-18(15)23)19(27)24-11-5-3-2-4-6-11/h2-10H,1H3,(H2,23,26)(H,24,27).
What are the key properties of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide?
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide has a molecular weight of 421.26 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 44553914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).