N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide

C14H13BrFN3O2 — CID 86926377

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H13BrFN3O2/c1-2-19(8-9-7-10(15)3-4-11(9)16)14(21)12-5-6-13(20)18-17-12/h3-7H,2,8H2,1H3,(H,18,20)
InChIKeyOCRHRKOVVOJYMP-UHFFFAOYSA-N
MW354.18 g/mol
LogP2.33
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 86926377) has the molecular formula C14H13BrFN3O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID86926377
Molecular FormulaC14H13BrFN3O2
Molecular Weight354.18 g/mol
Exact Mass353.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H13BrFN3O2/c1-2-19(8-9-7-10(15)3-4-11(9)16)14(21)12-5-6-13(20)18-17-12/h3-7H,2,8H2,1H3,(H,18,20)
InChIKeyOCRHRKOVVOJYMP-UHFFFAOYSA-N
XLogP2.33
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55594450
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-oxidopyridin-1-ium-2-carboxamide
CID 60506604
N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 114040760
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-nitrobenzamide
CID 55587717
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761321
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55594340
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55594677
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 119764808
N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide
CID 110704750
5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381321

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide (CID 86926377) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide is CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is OCRHRKOVVOJYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O2/c1-2-19(8-9-7-10(15)3-4-11(9)16)14(21)12-5-6-13(20)18-17-12/h3-7H,2,8H2,1H3,(H,18,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 354.18 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 86926377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).