3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide

C15H20F2N2O2 — CID 119769398

IUPAC3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2cccc(OCC(F)F)c2)C1
InChIInChI=1S/C15H20F2N2O2/c16-14(17)9-21-13-3-1-2-10(6-13)8-19-15(20)11-4-5-12(18)7-11/h1-3,6,11-12,14H,4-5,7-9,18H2,(H,19,20)
InChIKeyYQUSWDAXUBUHBC-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.07
Rot. Bonds6

About 3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide

3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119769398) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119769398
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2cccc(OCC(F)F)c2)C1
InChIInChI=1S/C15H20F2N2O2/c16-14(17)9-21-13-3-1-2-10(6-13)8-19-15(20)11-4-5-12(18)7-11/h1-3,6,11-12,14H,4-5,7-9,18H2,(H,19,20)
InChIKeyYQUSWDAXUBUHBC-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751138
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723309
3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918
(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120625841
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791700
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719955
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
(3S)-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95597538

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide (CID 119769398) is 3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCc2cccc(OCC(F)F)c2)C1.
What is the InChIKey of 3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is YQUSWDAXUBUHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-14(17)9-21-13-3-1-2-10(6-13)8-19-15(20)11-4-5-12(18)7-11/h1-3,6,11-12,14H,4-5,7-9,18H2,(H,19,20).
What are the key properties of 3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119769398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).