ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate

C18H24FNO3 — CID 1481353

IUPACethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate
SMILESCCOC(=O)N[C@@H](c1ccccc1F)[C@H]1CCCCCCC1=O
InChIInChI=1S/C18H24FNO3/c1-2-23-18(22)20-17(13-9-7-8-11-15(13)19)14-10-5-3-4-6-12-16(14)21/h7-9,11,14,17H,2-6,10,12H2,1H3,(H,20,22)/t14-,17-/m0/s1
InChIKeyVWADWCHWRONRRC-YOEHRIQHSA-N
MW321.39 g/mol
LogP4.15
Rot. Bonds4

About ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate

ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate (PubChem CID 1481353) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate
PubChem CID1481353
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Nameethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate
SMILESCCOC(=O)N[C@@H](c1ccccc1F)[C@H]1CCCCCCC1=O
InChIInChI=1S/C18H24FNO3/c1-2-23-18(22)20-17(13-9-7-8-11-15(13)19)14-10-5-3-4-6-12-16(14)21/h7-9,11,14,17H,2-6,10,12H2,1H3,(H,20,22)/t14-,17-/m0/s1
InChIKeyVWADWCHWRONRRC-YOEHRIQHSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate?
The IUPAC name of ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate (CID 1481353) is ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate?
The canonical SMILES for ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate is CCOC(=O)N[C@@H](c1ccccc1F)[C@H]1CCCCCCC1=O.
What is the InChIKey of ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate?
The InChIKey is VWADWCHWRONRRC-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-2-23-18(22)20-17(13-9-7-8-11-15(13)19)14-10-5-3-4-6-12-16(14)21/h7-9,11,14,17H,2-6,10,12H2,1H3,(H,20,22)/t14-,17-/m0/s1.
What are the key properties of ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate?
ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate has a molecular weight of 321.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate is sourced from PubChem (CID 1481353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).