2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide

C15H20FN3O — CID 63673634

IUPAC2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1NC1CCNC2(CCC2)C1
InChIInChI=1S/C15H20FN3O/c16-10-2-3-13(12(8-10)14(17)20)19-11-4-7-18-15(9-11)5-1-6-15/h2-3,8,11,18-19H,1,4-7,9H2,(H2,17,20)
InChIKeyVPHMEHYWPITGFB-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.01
Rot. Bonds3

About 2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide

2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide (PubChem CID 63673634) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide
PubChem CID63673634
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1NC1CCNC2(CCC2)C1
InChIInChI=1S/C15H20FN3O/c16-10-2-3-13(12(8-10)14(17)20)19-11-4-7-18-15(9-11)5-1-6-15/h2-3,8,11,18-19H,1,4-7,9H2,(H2,17,20)
InChIKeyVPHMEHYWPITGFB-UHFFFAOYSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide?
The IUPAC name of 2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide (CID 63673634) is 2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide.
What is the SMILES notation for 2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide?
The canonical SMILES for 2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide is NC(=O)c1cc(F)ccc1NC1CCNC2(CCC2)C1.
What is the InChIKey of 2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide?
The InChIKey is VPHMEHYWPITGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-10-2-3-13(12(8-10)14(17)20)19-11-4-7-18-15(9-11)5-1-6-15/h2-3,8,11,18-19H,1,4-7,9H2,(H2,17,20).
What are the key properties of 2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide?
2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide has a molecular weight of 277.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide is sourced from PubChem (CID 63673634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).