N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide

C18H13ClF2N4O2 — CID 113047986

IUPACN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C18H13ClF2N4O2/c1-27-15-5-3-11(19)9-14(15)22-16-6-7-17(25-24-16)23-18(26)10-2-4-12(20)13(21)8-10/h2-9H,1H3,(H,22,24)(H,23,25,26)
InChIKeyZQBQWNULQMGHQA-UHFFFAOYSA-N
MW390.78 g/mol
LogP4.41
Rot. Bonds5

About N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide

N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide (PubChem CID 113047986) has the molecular formula C18H13ClF2N4O2 and a molecular weight of 390.78 g/mol. Its IUPAC name is N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
PubChem CID113047986
Molecular FormulaC18H13ClF2N4O2
Molecular Weight390.78 g/mol
Exact Mass390.07
IUPAC NameN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C18H13ClF2N4O2/c1-27-15-5-3-11(19)9-14(15)22-16-6-7-17(25-24-16)23-18(26)10-2-4-12(20)13(21)8-10/h2-9H,1H3,(H,22,24)(H,23,25,26)
InChIKeyZQBQWNULQMGHQA-UHFFFAOYSA-N
XLogP4.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.78
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
CID 109129093
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047956
N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047474
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113048755
3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048646
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048572
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113051139

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide (CID 113047986) is N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide is COc1ccc(Cl)cc1Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nn1.
What is the InChIKey of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
The InChIKey is ZQBQWNULQMGHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O2/c1-27-15-5-3-11(19)9-14(15)22-16-6-7-17(25-24-16)23-18(26)10-2-4-12(20)13(21)8-10/h2-9H,1H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide has a molecular weight of 390.78 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 113047986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).