2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide

C20H17F2N3O3 — CID 123145912

IUPAC2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide
SMILESCOCc1ccc(OCc2ccc(F)c(F)c2)c(C(=O)Nc2ccnnc2)c1
InChIInChI=1S/C20H17F2N3O3/c1-27-11-13-3-5-19(28-12-14-2-4-17(21)18(22)9-14)16(8-13)20(26)25-15-6-7-23-24-10-15/h2-10H,11-12H2,1H3,(H,23,25,26)
InChIKeyPCNHQQPUMROIRA-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.73
Rot. Bonds7

About 2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide

2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide (PubChem CID 123145912) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide
PubChem CID123145912
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide
SMILESCOCc1ccc(OCc2ccc(F)c(F)c2)c(C(=O)Nc2ccnnc2)c1
InChIInChI=1S/C20H17F2N3O3/c1-27-11-13-3-5-19(28-12-14-2-4-17(21)18(22)9-14)16(8-13)20(26)25-15-6-7-23-24-10-15/h2-10H,11-12H2,1H3,(H,23,25,26)
InChIKeyPCNHQQPUMROIRA-UHFFFAOYSA-N
XLogP3.73
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-(1H-pyrazol-4-yl)phenylcarbamoyl)chroman-6-carboxylate
CID 44571469
5-Bromo-2-[(phenylmethyl)oxy]-N-4-pyridazinylbenzamide
CID 51357233
2-{[(4-Fluorophenyl)methyl]oxy}-N-3-pyridinyl-5-(trifluoromethyl)benzamide
CID 67106997
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
CID 67108013
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155511660
5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155511739
2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide
CID 155514319
2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide
CID 155516354

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide?
The IUPAC name of 2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide (CID 123145912) is 2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide is COCc1ccc(OCc2ccc(F)c(F)c2)c(C(=O)Nc2ccnnc2)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide?
The InChIKey is PCNHQQPUMROIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-27-11-13-3-5-19(28-12-14-2-4-17(21)18(22)9-14)16(8-13)20(26)25-15-6-7-23-24-10-15/h2-10H,11-12H2,1H3,(H,23,25,26).
What are the key properties of 2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide?
2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide has a molecular weight of 385.37 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 123145912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).