N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide

C18H23FN2O2 — CID 66776108

IUPACN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide
SMILESO=C(NCC1C2CNCC21)c1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C18H23FN2O2/c19-16-6-5-11(7-17(16)23-12-3-1-2-4-12)18(22)21-10-15-13-8-20-9-14(13)15/h5-7,12-15,20H,1-4,8-10H2,(H,21,22)
InChIKeyCPMOLEIAIHCHMC-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.34
Rot. Bonds5

About N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide

N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide (PubChem CID 66776108) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide
PubChem CID66776108
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide
SMILESO=C(NCC1C2CNCC21)c1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C18H23FN2O2/c19-16-6-5-11(7-17(16)23-12-3-1-2-4-12)18(22)21-10-15-13-8-20-9-14(13)15/h5-7,12-15,20H,1-4,8-10H2,(H,21,22)
InChIKeyCPMOLEIAIHCHMC-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide (CID 66776108) is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide is O=C(NCC1C2CNCC21)c1ccc(F)c(OC2CCCC2)c1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide?
The InChIKey is CPMOLEIAIHCHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-16-6-5-11(7-17(16)23-12-3-1-2-4-12)18(22)21-10-15-13-8-20-9-14(13)15/h5-7,12-15,20H,1-4,8-10H2,(H,21,22).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide?
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide has a molecular weight of 318.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide is sourced from PubChem (CID 66776108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).