2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide

C15H22FN3O2 — CID 166965900

IUPAC2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)C1(F)CC1CC(C)NC(=O)C1(C#N)CC1
InChIInChI=1S/C15H22FN3O2/c1-9(2)18-13(21)15(16)7-11(15)6-10(3)19-12(20)14(8-17)4-5-14/h9-11H,4-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyRFENCZYTEPVTGZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.44
Rot. Bonds6

About 2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide

2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 166965900) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID166965900
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)C1(F)CC1CC(C)NC(=O)C1(C#N)CC1
InChIInChI=1S/C15H22FN3O2/c1-9(2)18-13(21)15(16)7-11(15)6-10(3)19-12(20)14(8-17)4-5-14/h9-11H,4-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyRFENCZYTEPVTGZ-UHFFFAOYSA-N
XLogP1.44
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide (CID 166965900) is 2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)NC(=O)C1(F)CC1CC(C)NC(=O)C1(C#N)CC1.
What is the InChIKey of 2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is RFENCZYTEPVTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-9(2)18-13(21)15(16)7-11(15)6-10(3)19-12(20)14(8-17)4-5-14/h9-11H,4-7H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide?
2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 166965900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).