2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide

C20H17F2N3O3 — CID 67107685

IUPAC2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide
SMILESCC(O)c1ccc(OCc2ccc(F)c(F)c2)c(C(=O)Nc2ccnnc2)c1
InChIInChI=1S/C20H17F2N3O3/c1-12(26)14-3-5-19(28-11-13-2-4-17(21)18(22)8-13)16(9-14)20(27)25-15-6-7-23-24-10-15/h2-10,12,26H,11H2,1H3,(H,23,25,27)
InChIKeyGHPHJDFIOQSUBE-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.64
Rot. Bonds6

About 2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide

2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide (PubChem CID 67107685) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide
PubChem CID67107685
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide
SMILESCC(O)c1ccc(OCc2ccc(F)c(F)c2)c(C(=O)Nc2ccnnc2)c1
InChIInChI=1S/C20H17F2N3O3/c1-12(26)14-3-5-19(28-11-13-2-4-17(21)18(22)8-13)16(9-14)20(27)25-15-6-7-23-24-10-15/h2-10,12,26H,11H2,1H3,(H,23,25,27)
InChIKeyGHPHJDFIOQSUBE-UHFFFAOYSA-N
XLogP3.64
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-(1H-pyrazol-4-yl)phenylcarbamoyl)chroman-6-carboxylic acid
CID 44571600
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155516586
5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155540491
5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155553547
2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
CID 155553934
methyl 3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]-3,4-dihydro-2H-chromene-6-carboxylate;2,2,2-trifluoroacetic acid
CID 117075466
3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]-3,4-dihydro-2H-chromene-6-carboxylic acid;2,2,2-trifluoroacetic acid
CID 117075583
[5-ethoxy-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] (E)-3-pyridazin-4-ylprop-2-enoate
CID 56971401
3-N-[3,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-N-[2-(dimethylamino)ethyl]-6-N-methyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide
CID 58310833
2-[(Phenylmethyl)oxy]-4-(1-piperidinylcarbonyl)-N-4-pyridazinyl-5-(trifluoromethyl)benzamide
CID 66635249
2-[(Phenylmethyl)oxy]-4-(1-piperidinylmethyl)-N-4-pyridazinyl-5-(trifluoromethyl)benzamide
CID 66635622

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide?
The IUPAC name of 2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide (CID 67107685) is 2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide is CC(O)c1ccc(OCc2ccc(F)c(F)c2)c(C(=O)Nc2ccnnc2)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide?
The InChIKey is GHPHJDFIOQSUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-12(26)14-3-5-19(28-11-13-2-4-17(21)18(22)8-13)16(9-14)20(27)25-15-6-7-23-24-10-15/h2-10,12,26H,11H2,1H3,(H,23,25,27).
What are the key properties of 2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide?
2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide has a molecular weight of 385.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methoxy]-5-(1-hydroxyethyl)-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 67107685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).