1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide

C14H18F2N2O2 — CID 79587219

IUPAC1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCCC1CCOc1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2O2/c15-10-6-11(16)8-12(7-10)20-5-3-9-2-1-4-14(9,18)13(17)19/h6-9H,1-5,18H2,(H2,17,19)
InChIKeyBTZXMMHZNMCKSP-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.72
Rot. Bonds5

About 1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 79587219) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID79587219
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCCC1CCOc1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2O2/c15-10-6-11(16)8-12(7-10)20-5-3-9-2-1-4-14(9,18)13(17)19/h6-9H,1-5,18H2,(H2,17,19)
InChIKeyBTZXMMHZNMCKSP-UHFFFAOYSA-N
XLogP1.72
TPSA78.34 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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(2-phenoxyethyl)cyclopentane-1-carboxamide
CID 79586633
1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79588085
1-amino-2-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586482
1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide
CID 79588205
1-amino-2-[2-(2-propoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 79588401
1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid
CID 79570899
[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol
CID 79581784
1-amino-2-(2-heptoxyethyl)cyclopentane-1-carboxamide
CID 79571750
1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide
CID 79586651
1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide
CID 79577891
1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide
CID 104968705
3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde
CID 106202440

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide (CID 79587219) is 1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide is NC(=O)C1(N)CCCC1CCOc1cc(F)cc(F)c1.
What is the InChIKey of 1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is BTZXMMHZNMCKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-10-6-11(16)8-12(7-10)20-5-3-9-2-1-4-14(9,18)13(17)19/h6-9H,1-5,18H2,(H2,17,19).
What are the key properties of 1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79587219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).