benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate

C16H16FNO2 — CID 130581025

IUPACbenzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c1-12(14-8-5-9-15(17)10-14)18-16(19)20-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyYIGUURNPYHZMRI-LBPRGKRZSA-N
MW273.31 g/mol
LogP3.81
Rot. Bonds4

About benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate

benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate (PubChem CID 130581025) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
PubChem CID130581025
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Namebenzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c1-12(14-8-5-9-15(17)10-14)18-16(19)20-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyYIGUURNPYHZMRI-LBPRGKRZSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 20758955
benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 59985516
benzyl N-[1-(3-fluorophenyl)-3-oxopropyl]carbamate
CID 20758956
4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890884
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
benzyl N-[(2S)-1-[3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propan-2-yl]carbamate
CID 58748895
(2S)-2-benzylsulfanyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 51958369
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate
CID 58748908

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate (CID 130581025) is benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate is C[C@H](NC(=O)OCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate?
The InChIKey is YIGUURNPYHZMRI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-12(14-8-5-9-15(17)10-14)18-16(19)20-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate?
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate has a molecular weight of 273.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 130581025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).