1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide

C7H11FN2O — CID 123996987

IUPAC1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESNC(=O)C1NC2(F)CCC1C2
InChIInChI=1S/C7H11FN2O/c8-7-2-1-4(3-7)5(10-7)6(9)11/h4-5,10H,1-3H2,(H2,9,11)
InChIKeyCALMBGWJTBYHLR-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.09
Rot. Bonds1

About 1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide

1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 123996987) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID123996987
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESNC(=O)C1NC2(F)CCC1C2
InChIInChI=1S/C7H11FN2O/c8-7-2-1-4(3-7)5(10-7)6(9)11/h4-5,10H,1-3H2,(H2,9,11)
InChIKeyCALMBGWJTBYHLR-UHFFFAOYSA-N
XLogP-0.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1S,4R,6S)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one
CID 10558649
3-(Fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one
CID 126762671
6-Fluoro-2-azabicyclo[2.2.1]heptan-3-one
CID 129990231
1-(3-Fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459682
1-[(3-Fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459705
1-(2,2-Difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459711
1-(Fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459717
1-(2-Fluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459729
1-(3,3-Difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168853038
5-(Fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168853041
[(1S,3S,4S,5S)-5-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]-piperidin-1-ylmethanone
CID 176097424
(1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one
CID 10103196

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of 1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 123996987) is 1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for 1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for 1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide is NC(=O)C1NC2(F)CCC1C2.
What is the InChIKey of 1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is CALMBGWJTBYHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c8-7-2-1-4(3-7)5(10-7)6(9)11/h4-5,10H,1-3H2,(H2,9,11).
What are the key properties of 1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide?
1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 158.18 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 123996987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).