3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide

C14H19FN2O2 — CID 79637419

IUPAC3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O2/c1-17-14(13(16)18)7-3-6-12(9-14)19-11-5-2-4-10(15)8-11/h2,4-5,8,12,17H,3,6-7,9H2,1H3,(H2,16,18)
InChIKeyCKNUCOLLLASLPL-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.59
Rot. Bonds4

About 3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide

3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide (PubChem CID 79637419) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
PubChem CID79637419
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O2/c1-17-14(13(16)18)7-3-6-12(9-14)19-11-5-2-4-10(15)8-11/h2,4-5,8,12,17H,3,6-7,9H2,1H3,(H2,16,18)
InChIKeyCKNUCOLLLASLPL-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide (CID 79637419) is 3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(Oc2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is CKNUCOLLLASLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17-14(13(16)18)7-3-6-12(9-14)19-11-5-2-4-10(15)8-11/h2,4-5,8,12,17H,3,6-7,9H2,1H3,(H2,16,18).
What are the key properties of 3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide?
3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).