N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C12H9ClFN3O2 — CID 110794473

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9ClFN3O2/c13-8-5-7(1-2-9(8)14)6-15-12(19)10-3-4-11(18)17-16-10/h1-5H,6H2,(H,15,19)(H,17,18)
InChIKeyXENVQNMLEQMAJJ-UHFFFAOYSA-N
MW281.67 g/mol
LogP1.49
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110794473) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110794473
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9ClFN3O2/c13-8-5-7(1-2-9(8)14)6-15-12(19)10-3-4-11(18)17-16-10/h1-5H,6H2,(H,15,19)(H,17,18)
InChIKeyXENVQNMLEQMAJJ-UHFFFAOYSA-N
XLogP1.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369569
N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793511
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38637755
N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62533307
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824245

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110794473) is N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is XENVQNMLEQMAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c13-8-5-7(1-2-9(8)14)6-15-12(19)10-3-4-11(18)17-16-10/h1-5H,6H2,(H,15,19)(H,17,18).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 281.67 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110794473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).