N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C17H22F3NO2 — CID 91776931

IUPACN-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOCC1(CNC(=O)Cc2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C17H22F3NO2/c1-23-12-16(8-2-3-9-16)11-21-15(22)10-13-4-6-14(7-5-13)17(18,19)20/h4-7H,2-3,8-12H2,1H3,(H,21,22)
InChIKeyYURJVAYUPFBHFO-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.57
Rot. Bonds6

About N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 91776931) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID91776931
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOCC1(CNC(=O)Cc2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C17H22F3NO2/c1-23-12-16(8-2-3-9-16)11-21-15(22)10-13-4-6-14(7-5-13)17(18,19)20/h4-7H,2-3,8-12H2,1H3,(H,21,22)
InChIKeyYURJVAYUPFBHFO-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 91776931) is N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is COCC1(CNC(=O)Cc2ccc(C(F)(F)F)cc2)CCCC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YURJVAYUPFBHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-23-12-16(8-2-3-9-16)11-21-15(22)10-13-4-6-14(7-5-13)17(18,19)20/h4-7H,2-3,8-12H2,1H3,(H,21,22).
What are the key properties of N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91776931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).