5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide

C19H15F3N4O — CID 71185373

IUPAC5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2ccnnc2C(N)Cc2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C19H15F3N4O/c20-12-5-10(6-13(21)9-12)7-17(23)18-14(3-4-25-26-18)11-1-2-16(22)15(8-11)19(24)27/h1-6,8-9,17H,7,23H2,(H2,24,27)
InChIKeyJPCPBMKVUMTXRM-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.90
Rot. Bonds5

About 5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide

5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide (PubChem CID 71185373) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide
PubChem CID71185373
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2ccnnc2C(N)Cc2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C19H15F3N4O/c20-12-5-10(6-13(21)9-12)7-17(23)18-14(3-4-25-26-18)11-1-2-16(22)15(8-11)19(24)27/h1-6,8-9,17H,7,23H2,(H2,24,27)
InChIKeyJPCPBMKVUMTXRM-UHFFFAOYSA-N
XLogP2.90
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridazin-4-ylphenyl)propan-2-yl]benzamide
CID 45268510
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridazin-3-ylphenyl)propan-2-yl]benzamide
CID 45272752
2-(2-fluorophenyl)-N-hydroxy-2-(4-pyridazin-3-ylphenyl)acetamide
CID 155519955
4-fluoro-N-(2-oxo-2-(phenyl(pyridazin-3-yl)methylamino)ethyl)benzamide
CID 44578960
4-(aminomethyl)-6-pyridazin-3-yl-2H-phthalazin-1-one
CID 156151544
N-[(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl]-4-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 172465868
Pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone
CID 15264929
4-fluoro-N-methyl-3-pyridazin-4-ylbenzamide
CID 176432721
3-(5-aminopyridazin-4-yl)-4-fluoro-N-methylbenzamide
CID 176432722
2-fluoro-6-[3-(1H-pyrazol-3-yl)phenyl]benzamide
CID 28766633
3-[1-(4-Fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide
CID 11848889
1-(2,4-Difluorophenyl)-2-(pyridazin-3-yl)propan-1-one
CID 18956523

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide?
The IUPAC name of 5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide (CID 71185373) is 5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for 5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide?
The canonical SMILES for 5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide is NC(=O)c1cc(-c2ccnnc2C(N)Cc2cc(F)cc(F)c2)ccc1F.
What is the InChIKey of 5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide?
The InChIKey is JPCPBMKVUMTXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-12-5-10(6-13(21)9-12)7-17(23)18-14(3-4-25-26-18)11-1-2-16(22)15(8-11)19(24)27/h1-6,8-9,17H,7,23H2,(H2,24,27).
What are the key properties of 5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide?
5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide has a molecular weight of 372.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-amino-2-(3,5-difluorophenyl)ethyl]pyridazin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 71185373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).