6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide

C18H17F2N3O — CID 175945753

IUPAC6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC3C(C2)C3(F)F)cc1-c1cccnn1
InChIInChI=1S/C18H17F2N3O/c1-10-4-5-12(9-13(10)16-3-2-6-21-23-16)22-17(24)11-7-14-15(8-11)18(14,19)20/h2-6,9,11,14-15H,7-8H2,1H3,(H,22,24)
InChIKeyHZMHDQLLLWVGAX-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.68
Rot. Bonds3

About 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide

6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 175945753) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID175945753
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC3C(C2)C3(F)F)cc1-c1cccnn1
InChIInChI=1S/C18H17F2N3O/c1-10-4-5-12(9-13(10)16-3-2-6-21-23-16)22-17(24)11-7-14-15(8-11)18(14,19)20/h2-6,9,11,14-15H,7-8H2,1H3,(H,22,24)
InChIKeyHZMHDQLLLWVGAX-UHFFFAOYSA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
CID 169175957
2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide
CID 169175933
1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
CID 169177102
ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen
CID 169176261
N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide
CID 169176404
ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine
CID 169176012
N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169175846
(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 176763932
2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid
CID 69315923
N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363862
(3S,5S,8S)-N-(4-methyl-3-pyridin-2-ylphenyl)-7-(2,2,2-trifluoroethyl)-7-azatricyclo[3.2.1.01,3]octane-8-carboxamide
CID 169177101
(1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 169175808

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 175945753) is 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide is Cc1ccc(NC(=O)C2CC3C(C2)C3(F)F)cc1-c1cccnn1.
What is the InChIKey of 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is HZMHDQLLLWVGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-10-4-5-12(9-13(10)16-3-2-6-21-23-16)22-17(24)11-7-14-15(8-11)18(14,19)20/h2-6,9,11,14-15H,7-8H2,1H3,(H,22,24).
What are the key properties of 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 175945753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).