[6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride

C20H22ClFN2O2 — CID 164861061

IUPAC[6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride
SMILESCl.O=C(NCc1ccccc1)OCC1(c2ccccc2F)C2CNCC21
InChIInChI=1S/C20H21FN2O2.ClH/c21-18-9-5-4-8-15(18)20(16-11-22-12-17(16)20)13-25-19(24)23-10-14-6-2-1-3-7-14;/h1-9,16-17,22H,10-13H2,(H,23,24);1H
InChIKeyUNOPBLJKSITWPF-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.26
Rot. Bonds5

About [6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride

[6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride (PubChem CID 164861061) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is [6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride.

Molecular Properties

Compound Name[6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride
PubChem CID164861061
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name[6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride
SMILESCl.O=C(NCc1ccccc1)OCC1(c2ccccc2F)C2CNCC21
InChIInChI=1S/C20H21FN2O2.ClH/c21-18-9-5-4-8-15(18)20(16-11-22-12-17(16)20)13-25-19(24)23-10-14-6-2-1-3-7-14;/h1-9,16-17,22H,10-13H2,(H,23,24);1H
InChIKeyUNOPBLJKSITWPF-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate
CID 164860541
[6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride
CID 164860673
[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate
CID 164860531
[(3S,4S)-4-hydroxypyrrolidin-3-yl]methyl N-benzylcarbamate
CID 91035324
(1-aminocyclopentyl)methyl N-benzylcarbamate
CID 107654689
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzene;ethyl N-benzylcarbamate
CID 67715166
morpholin-2-ylmethyl N-benzylcarbamate
CID 107654723
benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate
CID 164850769
1-(azetidin-3-ylmethyl)-3-benzylurea
CID 117235420
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455322
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256

Frequently Asked Questions

What is the IUPAC name of [6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride?
The IUPAC name of [6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride (CID 164861061) is [6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride.
What is the SMILES notation for [6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride?
The canonical SMILES for [6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride is Cl.O=C(NCc1ccccc1)OCC1(c2ccccc2F)C2CNCC21.
What is the InChIKey of [6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride?
The InChIKey is UNOPBLJKSITWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2.ClH/c21-18-9-5-4-8-15(18)20(16-11-22-12-17(16)20)13-25-19(24)23-10-14-6-2-1-3-7-14;/h1-9,16-17,22H,10-13H2,(H,23,24);1H.
What are the key properties of [6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride?
[6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride has a molecular weight of 376.86 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride is sourced from PubChem (CID 164861061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).