3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide

C14H18F2N2O2 — CID 79637427

IUPAC3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(Oc2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2N2O2/c1-18-14(13(17)19)7-3-4-9(8-14)20-11-6-2-5-10(15)12(11)16/h2,5-6,9,18H,3-4,7-8H2,1H3,(H2,17,19)
InChIKeyWMNQTFXDJQLYPY-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.73
Rot. Bonds4

About 3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide

3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide (PubChem CID 79637427) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
PubChem CID79637427
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(Oc2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2N2O2/c1-18-14(13(17)19)7-3-4-9(8-14)20-11-6-2-5-10(15)12(11)16/h2,5-6,9,18H,3-4,7-8H2,1H3,(H2,17,19)
InChIKeyWMNQTFXDJQLYPY-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide (CID 79637427) is 3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(Oc2cccc(F)c2F)C1.
What is the InChIKey of 3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is WMNQTFXDJQLYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-18-14(13(17)19)7-3-4-9(8-14)20-11-6-2-5-10(15)12(11)16/h2,5-6,9,18H,3-4,7-8H2,1H3,(H2,17,19).
What are the key properties of 3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide?
3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).