[(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate

C17H18FNO2 — CID 144705817

IUPAC[(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate
SMILESC[C@@H](Cc1ccccc1F)OC(=O)NCc1ccccc1
InChIInChI=1S/C17H18FNO2/c1-13(11-15-9-5-6-10-16(15)18)21-17(20)19-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyZRUNDVANZCXZOU-ZDUSSCGKSA-N
MW287.33 g/mol
LogP3.68
Rot. Bonds5

About [(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate

[(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate (PubChem CID 144705817) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate
PubChem CID144705817
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate
SMILESC[C@@H](Cc1ccccc1F)OC(=O)NCc1ccccc1
InChIInChI=1S/C17H18FNO2/c1-13(11-15-9-5-6-10-16(15)18)21-17(20)19-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyZRUNDVANZCXZOU-ZDUSSCGKSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate?
The IUPAC name of [(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate (CID 144705817) is [(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate.
What is the SMILES notation for [(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate?
The canonical SMILES for [(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate is C[C@@H](Cc1ccccc1F)OC(=O)NCc1ccccc1.
What is the InChIKey of [(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate?
The InChIKey is ZRUNDVANZCXZOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-13(11-15-9-5-6-10-16(15)18)21-17(20)19-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of [(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate?
[(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate has a molecular weight of 287.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-fluorophenyl)propan-2-yl] N-benzylcarbamate is sourced from PubChem (CID 144705817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).