[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate

C17H22FNO3 — CID 55397003

IUPAC[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCN(Cc1ccccc1F)C(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C17H22FNO3/c1-19(11-14-8-4-5-9-15(14)18)16(20)12-22-17(21)10-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3
InChIKeyULWTZCQRQFTOLM-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.91
Rot. Bonds6

About [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 55397003) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate
PubChem CID55397003
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCN(Cc1ccccc1F)C(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C17H22FNO3/c1-19(11-14-8-4-5-9-15(14)18)16(20)12-22-17(21)10-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3
InChIKeyULWTZCQRQFTOLM-UHFFFAOYSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 55401435
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 55397394
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55397534
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 55397130
2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64616563
2-cyclopentyl-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 134046668
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55397454
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612552
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845273
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807880
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346520

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate (CID 55397003) is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate is CN(Cc1ccccc1F)C(=O)COC(=O)CC1CCCC1.
What is the InChIKey of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is ULWTZCQRQFTOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-19(11-14-8-4-5-9-15(14)18)16(20)12-22-17(21)10-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate?
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 307.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 55397003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).