N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide

C15H18F3NO3 — CID 111540945

IUPACN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)NCc1c(F)cccc1OC(F)F
InChIInChI=1S/C15H18F3NO3/c16-11-4-3-5-12(22-14(17)18)10(11)9-19-13(20)8-15(21)6-1-2-7-15/h3-5,14,21H,1-2,6-9H2,(H,19,20)
InChIKeyMQZOSSLOLOLOQB-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.74
Rot. Bonds6

About N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide

N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111540945) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111540945
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)NCc1c(F)cccc1OC(F)F
InChIInChI=1S/C15H18F3NO3/c16-11-4-3-5-12(22-14(17)18)10(11)9-19-13(20)8-15(21)6-1-2-7-15/h3-5,14,21H,1-2,6-9H2,(H,19,20)
InChIKeyMQZOSSLOLOLOQB-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430390
N-[2-(difluoromethoxy)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331721
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(3-hydroxypropyl)urea
CID 111509592
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111509604
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide
CID 71985920
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111498118
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide
CID 71985921
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71985913
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1H-pyrazole-5-carboxamide
CID 71985919
N-[4-(difluoromethoxy)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430225
1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol
CID 167969787
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71985912

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111540945) is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide is O=C(CC1(O)CCCC1)NCc1c(F)cccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is MQZOSSLOLOLOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c16-11-4-3-5-12(22-14(17)18)10(11)9-19-13(20)8-15(21)6-1-2-7-15/h3-5,14,21H,1-2,6-9H2,(H,19,20).
What are the key properties of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 317.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111540945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).