3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide

C16H21F2NO2 — CID 86915882

IUPAC3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCc1ccccc1OC(F)F
InChIInChI=1S/C16H21F2NO2/c17-16(18)21-14-8-4-3-7-13(14)11-19-15(20)10-9-12-5-1-2-6-12/h3-4,7-8,12,16H,1-2,5-6,9-11H2,(H,19,20)
InChIKeyXNRIPUMLPIQRBU-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.87
Rot. Bonds7

About 3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide

3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide (PubChem CID 86915882) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
PubChem CID86915882
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCc1ccccc1OC(F)F
InChIInChI=1S/C16H21F2NO2/c17-16(18)21-14-8-4-3-7-13(14)11-19-15(20)10-9-12-5-1-2-6-12/h3-4,7-8,12,16H,1-2,5-6,9-11H2,(H,19,20)
InChIKeyXNRIPUMLPIQRBU-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71765531
(9Z,12Z)-N-(3-Methoxybenzyl)Octadeca-9,12-Dienamide
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N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-(4-methoxybenzyl)oleamide
CID 11502240
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
CID 10002429
N-(3-Methoxybenzyl)oleamide
CID 73346080
N-((3-Methoxyphenyl)methyl)octadeca-9,12,15-trienamide, (9Z,12Z,15Z)-
CID 73353637
(5Z,8Z,11Z,14Z,17Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14,17-pentaenamide
CID 162516978
N-(4-methoxyphenethyl)oleamide
CID 44406075
N-cycloheptyl-2-(2-methoxyphenyl)acetamide
CID 690543
N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 795920

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide (CID 86915882) is 3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide is O=C(CCC1CCCC1)NCc1ccccc1OC(F)F.
What is the InChIKey of 3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is XNRIPUMLPIQRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c17-16(18)21-14-8-4-3-7-13(14)11-19-15(20)10-9-12-5-1-2-6-12/h3-4,7-8,12,16H,1-2,5-6,9-11H2,(H,19,20).
What are the key properties of 3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide?
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 297.34 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 86915882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).