6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide

C13H10ClF2N3O — CID 61040897

IUPAC6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H10ClF2N3O/c1-19(7-8-2-3-9(15)6-10(8)16)13(20)11-4-5-12(14)18-17-11/h2-6H,7H2,1H3
InChIKeyYZORYAVDNNOVOF-UHFFFAOYSA-N
MW297.69 g/mol
LogP2.68
Rot. Bonds3

About 6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide

6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide (PubChem CID 61040897) has the molecular formula C13H10ClF2N3O and a molecular weight of 297.69 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
PubChem CID61040897
Molecular FormulaC13H10ClF2N3O
Molecular Weight297.69 g/mol
Exact Mass297.05
IUPAC Name6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H10ClF2N3O/c1-19(7-8-2-3-9(15)6-10(8)16)13(20)11-4-5-12(14)18-17-11/h2-6H,7H2,1H3
InChIKeyYZORYAVDNNOVOF-UHFFFAOYSA-N
XLogP2.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61041688
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 60857881
N-[(2,4-difluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 134046590
2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55730341
6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
CID 86025945
6-chloro-N-hydroxy-N-methylpyridazine-3-carboxamide
CID 130951847
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
5-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60725330
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide (CID 61040897) is 6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide?
The InChIKey is YZORYAVDNNOVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3O/c1-19(7-8-2-3-9(15)6-10(8)16)13(20)11-4-5-12(14)18-17-11/h2-6H,7H2,1H3.
What are the key properties of 6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide?
6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide has a molecular weight of 297.69 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 61040897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).