N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide

C17H11F2N3O2 — CID 122133953

IUPACN-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccnnc1
InChIInChI=1S/C17H11F2N3O2/c18-12-7-13(19)9-14(8-12)24-16-4-2-1-3-15(16)22-17(23)11-5-6-20-21-10-11/h1-10H,(H,22,23)
InChIKeyNZKCSBZMJGAQRB-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.80
Rot. Bonds4

About N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide

N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide (PubChem CID 122133953) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide
PubChem CID122133953
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC NameN-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccnnc1
InChIInChI=1S/C17H11F2N3O2/c18-12-7-13(19)9-14(8-12)24-16-4-2-1-3-15(16)22-17(23)11-5-6-20-21-10-11/h1-10H,(H,22,23)
InChIKeyNZKCSBZMJGAQRB-UHFFFAOYSA-N
XLogP3.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016234
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493
2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide
CID 60564666
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
N-(2-carbamothioyl-4-fluorophenyl)pyridazine-4-carboxamide
CID 104670517
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
N-(2-phenoxyphenyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 110863703
3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide (CID 122133953) is N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide is O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccnnc1.
What is the InChIKey of N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide?
The InChIKey is NZKCSBZMJGAQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-12-7-13(19)9-14(8-12)24-16-4-2-1-3-15(16)22-17(23)11-5-6-20-21-10-11/h1-10H,(H,22,23).
What are the key properties of N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide?
N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide has a molecular weight of 327.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 122133953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).