3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide

C14H18F2N2O2 — CID 79648862

IUPAC3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H18F2N2O2/c1-2-18-14(13(17)19)4-3-11(8-14)20-12-6-9(15)5-10(16)7-12/h5-7,11,18H,2-4,8H2,1H3,(H2,17,19)
InChIKeyMSWBNAZYIIJIKZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.73
Rot. Bonds5

About 3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide

3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide (PubChem CID 79648862) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
PubChem CID79648862
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H18F2N2O2/c1-2-18-14(13(17)19)4-3-11(8-14)20-12-6-9(15)5-10(16)7-12/h5-7,11,18H,2-4,8H2,1H3,(H2,17,19)
InChIKeyMSWBNAZYIIJIKZ-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide (CID 79648862) is 3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(Oc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
The InChIKey is MSWBNAZYIIJIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-2-18-14(13(17)19)4-3-11(8-14)20-12-6-9(15)5-10(16)7-12/h5-7,11,18H,2-4,8H2,1H3,(H2,17,19).
What are the key properties of 3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79648862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).