2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide

C15H24F2N2O — CID 123386637

IUPAC2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide
SMILESCCCCC(CC(F)(F)CCC)C(=O)NC1(C#N)CC1
InChIInChI=1S/C15H24F2N2O/c1-3-5-6-12(10-15(16,17)7-4-2)13(20)19-14(11-18)8-9-14/h12H,3-10H2,1-2H3,(H,19,20)
InChIKeyBOVAKGNZONWTEN-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.79
Rot. Bonds9

About 2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide

2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide (PubChem CID 123386637) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide.

Molecular Properties

Compound Name2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide
PubChem CID123386637
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide
SMILESCCCCC(CC(F)(F)CCC)C(=O)NC1(C#N)CC1
InChIInChI=1S/C15H24F2N2O/c1-3-5-6-12(10-15(16,17)7-4-2)13(20)19-14(11-18)8-9-14/h12H,3-10H2,1-2H3,(H,19,20)
InChIKeyBOVAKGNZONWTEN-UHFFFAOYSA-N
XLogP3.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide?
The IUPAC name of 2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide (CID 123386637) is 2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide.
What is the SMILES notation for 2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide?
The canonical SMILES for 2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide is CCCCC(CC(F)(F)CCC)C(=O)NC1(C#N)CC1.
What is the InChIKey of 2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide?
The InChIKey is BOVAKGNZONWTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-3-5-6-12(10-15(16,17)7-4-2)13(20)19-14(11-18)8-9-14/h12H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide?
2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide has a molecular weight of 286.37 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide is sourced from PubChem (CID 123386637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).