6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide

C13H10ClF2N3O — CID 86025945

IUPAC6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1F)c1ccc(Cl)nn1
InChIInChI=1S/C13H10ClF2N3O/c14-12-4-3-11(18-19-12)13(20)17-6-5-8-1-2-9(15)7-10(8)16/h1-4,7H,5-6H2,(H,17,20)
InChIKeyDEZKPZZOAVOSCN-UHFFFAOYSA-N
MW297.69 g/mol
LogP2.38
Rot. Bonds4

About 6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide

6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 86025945) has the molecular formula C13H10ClF2N3O and a molecular weight of 297.69 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID86025945
Molecular FormulaC13H10ClF2N3O
Molecular Weight297.69 g/mol
Exact Mass297.05
IUPAC Name6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1F)c1ccc(Cl)nn1
InChIInChI=1S/C13H10ClF2N3O/c14-12-4-3-11(18-19-12)13(20)17-6-5-8-1-2-9(15)7-10(8)16/h1-4,7H,5-6H2,(H,17,20)
InChIKeyDEZKPZZOAVOSCN-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61040897
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 60858368
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195
6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide
CID 61042452
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186704

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide (CID 86025945) is 6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide is O=C(NCCc1ccc(F)cc1F)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is DEZKPZZOAVOSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3O/c14-12-4-3-11(18-19-12)13(20)17-6-5-8-1-2-9(15)7-10(8)16/h1-4,7H,5-6H2,(H,17,20).
What are the key properties of 6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide?
6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 297.69 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 86025945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).