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

C19H13F2N3O3 — CID 86668211

IUPAC2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide
SMILESO=Cc1ccc(OCc2ccc(F)c(F)c2)c(C(=O)Nc2ccnnc2)c1
InChIInChI=1S/C19H13F2N3O3/c20-16-3-1-13(8-17(16)21)11-27-18-4-2-12(10-25)7-15(18)19(26)24-14-5-6-22-23-9-14/h1-10H,11H2,(H,22,24,26)
InChIKeyHNTWZYSNNBGWFP-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.40
Rot. Bonds6

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

2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide (PubChem CID 86668211) has the molecular formula C19H13F2N3O3 and a molecular weight of 369.33 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide
PubChem CID86668211
Molecular FormulaC19H13F2N3O3
Molecular Weight369.33 g/mol
Exact Mass369.09
IUPAC Name2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide
SMILESO=Cc1ccc(OCc2ccc(F)c(F)c2)c(C(=O)Nc2ccnnc2)c1
InChIInChI=1S/C19H13F2N3O3/c20-16-3-1-13(8-17(16)21)11-27-18-4-2-12(10-25)7-15(18)19(26)24-14-5-6-22-23-9-14/h1-10H,11H2,(H,22,24,26)
InChIKeyHNTWZYSNNBGWFP-UHFFFAOYSA-N
XLogP3.40
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide?
The IUPAC name of 2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide (CID 86668211) is 2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide is O=Cc1ccc(OCc2ccc(F)c(F)c2)c(C(=O)Nc2ccnnc2)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide?
The InChIKey is HNTWZYSNNBGWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O3/c20-16-3-1-13(8-17(16)21)11-27-18-4-2-12(10-25)7-15(18)19(26)24-14-5-6-22-23-9-14/h1-10H,11H2,(H,22,24,26).
What are the key properties of 2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide?
2-[(3,4-difluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide has a molecular weight of 369.33 g/mol, XLogP of 3.40, 6 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-formyl-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 86668211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).