3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide

C17H23F2NO2 — CID 70910539

IUPAC3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(CC1CCCC1)OCc1cc(F)cc(F)c1
InChIInChI=1S/C17H23F2NO2/c1-2-20-17(21)16(9-12-5-3-4-6-12)22-11-13-7-14(18)10-15(19)8-13/h7-8,10,12,16H,2-6,9,11H2,1H3,(H,20,21)
InChIKeyLZJZPCCTQGQMIV-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.57
Rot. Bonds7

About 3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide

3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide (PubChem CID 70910539) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide
PubChem CID70910539
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(CC1CCCC1)OCc1cc(F)cc(F)c1
InChIInChI=1S/C17H23F2NO2/c1-2-20-17(21)16(9-12-5-3-4-6-12)22-11-13-7-14(18)10-15(19)8-13/h7-8,10,12,16H,2-6,9,11H2,1H3,(H,20,21)
InChIKeyLZJZPCCTQGQMIV-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide?
The IUPAC name of 3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide (CID 70910539) is 3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide is CCNC(=O)C(CC1CCCC1)OCc1cc(F)cc(F)c1.
What is the InChIKey of 3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide?
The InChIKey is LZJZPCCTQGQMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-2-20-17(21)16(9-12-5-3-4-6-12)22-11-13-7-14(18)10-15(19)8-13/h7-8,10,12,16H,2-6,9,11H2,1H3,(H,20,21).
What are the key properties of 3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide?
3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide has a molecular weight of 311.37 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide is sourced from PubChem (CID 70910539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).