N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C13H10ClF2N3O3 — CID 26901420

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1=O
InChIInChI=1S/C13H10ClF2N3O3/c1-19-11(20)5-3-9(18-19)12(21)17-7-2-4-10(8(14)6-7)22-13(15)16/h2-6,13H,1H3,(H,17,21)
InChIKeyVECPOGRZTILONA-UHFFFAOYSA-N
MW329.69 g/mol
LogP2.29
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 26901420) has the molecular formula C13H10ClF2N3O3 and a molecular weight of 329.69 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID26901420
Molecular FormulaC13H10ClF2N3O3
Molecular Weight329.69 g/mol
Exact Mass329.04
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1=O
InChIInChI=1S/C13H10ClF2N3O3/c1-19-11(20)5-3-9(18-19)12(21)17-7-2-4-10(8(14)6-7)22-13(15)16/h2-6,13H,1H3,(H,17,21)
InChIKeyVECPOGRZTILONA-UHFFFAOYSA-N
XLogP2.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086
ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267096
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7942994
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(dimethylamino)benzamide
CID 24576004
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55727357
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965
N-[3-chloro-4-(difluoromethoxy)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26587290

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 26901420) is N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1=O.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is VECPOGRZTILONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3O3/c1-19-11(20)5-3-9(18-19)12(21)17-7-2-4-10(8(14)6-7)22-13(15)16/h2-6,13H,1H3,(H,17,21).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 329.69 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26901420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).