6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide

C13H11ClFN3O — CID 61041832

IUPAC6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nn1)c1ccccc1F
InChIInChI=1S/C13H11ClFN3O/c1-8(9-4-2-3-5-10(9)15)16-13(19)11-6-7-12(14)18-17-11/h2-8H,1H3,(H,16,19)
InChIKeyVBVYKFYBLMMLFE-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.76
Rot. Bonds3

About 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide

6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 61041832) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID61041832
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nn1)c1ccccc1F
InChIInChI=1S/C13H11ClFN3O/c1-8(9-4-2-3-5-10(9)15)16-13(19)11-6-7-12(14)18-17-11/h2-8H,1H3,(H,16,19)
InChIKeyVBVYKFYBLMMLFE-UHFFFAOYSA-N
XLogP2.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61040801
N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17429467
2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 43346434
4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 82812874
2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 105380534
N-[(1R)-1-(2-chloro-3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473627
6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide
CID 61040940
2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81377841
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 81380667
N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
CID 114344109

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide (CID 61041832) is 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide is CC(NC(=O)c1ccc(Cl)nn1)c1ccccc1F.
What is the InChIKey of 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is VBVYKFYBLMMLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-8(9-4-2-3-5-10(9)15)16-13(19)11-6-7-12(14)18-17-11/h2-8H,1H3,(H,16,19).
What are the key properties of 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide?
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61041832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).