[2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate

C22H25FN2O2 — CID 91008131

IUPAC[2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate
SMILESCc1cc(-c2ccccc2OC(=O)NCC2CC3CCC(C2)N3)ccc1F
InChIInChI=1S/C22H25FN2O2/c1-14-10-16(6-9-20(14)23)19-4-2-3-5-21(19)27-22(26)24-13-15-11-17-7-8-18(12-15)25-17/h2-6,9-10,15,17-18,25H,7-8,11-13H2,1H3,(H,24,26)
InChIKeyWEKDZMOQBUDIBF-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.42
Rot. Bonds4

About [2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate

[2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate (PubChem CID 91008131) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate
PubChem CID91008131
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name[2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate
SMILESCc1cc(-c2ccccc2OC(=O)NCC2CC3CCC(C2)N3)ccc1F
InChIInChI=1S/C22H25FN2O2/c1-14-10-16(6-9-20(14)23)19-4-2-3-5-21(19)27-22(26)24-13-15-11-17-7-8-18(12-15)25-17/h2-6,9-10,15,17-18,25H,7-8,11-13H2,1H3,(H,24,26)
InChIKeyWEKDZMOQBUDIBF-UHFFFAOYSA-N
XLogP4.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide
CID 46891151
9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate
CID 171951173
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate
CID 11260212
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide
CID 124591619
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate
CID 91189456
5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 123760333
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
CID 124693226
N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 118428826
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,4,5-trifluorophenyl)phenyl]acetamide;hydrochloride
CID 119813729

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate?
The IUPAC name of [2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate (CID 91008131) is [2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate.
What is the SMILES notation for [2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate?
The canonical SMILES for [2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate is Cc1cc(-c2ccccc2OC(=O)NCC2CC3CCC(C2)N3)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate?
The InChIKey is WEKDZMOQBUDIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-14-10-16(6-9-20(14)23)19-4-2-3-5-21(19)27-22(26)24-13-15-11-17-7-8-18(12-15)25-17/h2-6,9-10,15,17-18,25H,7-8,11-13H2,1H3,(H,24,26).
What are the key properties of [2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate?
[2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate has a molecular weight of 368.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methylphenyl)phenyl] N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate is sourced from PubChem (CID 91008131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).