2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide

C18H25F2N3O — CID 178021638

IUPAC2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccnnc1)C1CC(F)(F)CCC1C1CCCCCC1
InChIInChI=1S/C18H25F2N3O/c19-18(20)9-7-15(13-5-3-1-2-4-6-13)16(11-18)17(24)23-14-8-10-21-22-12-14/h8,10,12-13,15-16H,1-7,9,11H2,(H,21,23,24)
InChIKeyOIVQEHSSWMDAEQ-UHFFFAOYSA-N
MW337.41 g/mol
LogP4.44
Rot. Bonds3

About 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide

2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide (PubChem CID 178021638) has the molecular formula C18H25F2N3O and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide
PubChem CID178021638
Molecular FormulaC18H25F2N3O
Molecular Weight337.41 g/mol
Exact Mass337.20
IUPAC Name2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccnnc1)C1CC(F)(F)CCC1C1CCCCCC1
InChIInChI=1S/C18H25F2N3O/c19-18(20)9-7-15(13-5-3-1-2-4-6-13)16(11-18)17(24)23-14-8-10-21-22-12-14/h8,10,12-13,15-16H,1-7,9,11H2,(H,21,23,24)
InChIKeyOIVQEHSSWMDAEQ-UHFFFAOYSA-N
XLogP4.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide (CID 178021638) is 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide is O=C(Nc1ccnnc1)C1CC(F)(F)CCC1C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide?
The InChIKey is OIVQEHSSWMDAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O/c19-18(20)9-7-15(13-5-3-1-2-4-6-13)16(11-18)17(24)23-14-8-10-21-22-12-14/h8,10,12-13,15-16H,1-7,9,11H2,(H,21,23,24).
What are the key properties of 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide?
2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 178021638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).