3,4,5-trifluoro-N-pyridazin-3-ylbenzamide

C11H6F3N3O — CID 113238408

IUPAC3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H6F3N3O/c12-7-4-6(5-8(13)10(7)14)11(18)16-9-2-1-3-15-17-9/h1-5H,(H,16,17,18)
InChIKeyLMRDJWJLEQLXKW-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.15
Rot. Bonds2

About 3,4,5-trifluoro-N-pyridazin-3-ylbenzamide

3,4,5-trifluoro-N-pyridazin-3-ylbenzamide (PubChem CID 113238408) has the molecular formula C11H6F3N3O and a molecular weight of 253.18 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
PubChem CID113238408
Molecular FormulaC11H6F3N3O
Molecular Weight253.18 g/mol
Exact Mass253.05
IUPAC Name3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H6F3N3O/c12-7-4-6(5-8(13)10(7)14)11(18)16-9-2-1-3-15-17-9/h1-5H,(H,16,17,18)
InChIKeyLMRDJWJLEQLXKW-UHFFFAOYSA-N
XLogP2.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide
CID 115635769
4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
CID 21109039
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
CID 116786004
2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide
CID 115635735
pyridazin-3-ylurea
CID 13080987
5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide
CID 114035120
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572
N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 116786865

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-pyridazin-3-ylbenzamide?
The IUPAC name of 3,4,5-trifluoro-N-pyridazin-3-ylbenzamide (CID 113238408) is 3,4,5-trifluoro-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 3,4,5-trifluoro-N-pyridazin-3-ylbenzamide is O=C(Nc1cccnn1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-pyridazin-3-ylbenzamide?
The InChIKey is LMRDJWJLEQLXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O/c12-7-4-6(5-8(13)10(7)14)11(18)16-9-2-1-3-15-17-9/h1-5H,(H,16,17,18).
What are the key properties of 3,4,5-trifluoro-N-pyridazin-3-ylbenzamide?
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide has a molecular weight of 253.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 113238408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).