8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate

C21H23FN2O2 — CID 11394093

IUPAC8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(F)c1-c1ccccc1)OCC1CC2CCC(C1)N2
InChIInChI=1S/C21H23FN2O2/c22-18-7-4-8-19(20(18)15-5-2-1-3-6-15)24-21(25)26-13-14-11-16-9-10-17(12-14)23-16/h1-8,14,16-17,23H,9-13H2,(H,24,25)
InChIKeyDMJKUCQTFUCACH-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.57
Rot. Bonds4

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

8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate (PubChem CID 11394093) has the molecular formula C21H23FN2O2 and a molecular weight of 354.42 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate
PubChem CID11394093
Molecular FormulaC21H23FN2O2
Molecular Weight354.42 g/mol
Exact Mass354.17
IUPAC Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(F)c1-c1ccccc1)OCC1CC2CCC(C1)N2
InChIInChI=1S/C21H23FN2O2/c22-18-7-4-8-19(20(18)15-5-2-1-3-6-15)24-21(25)26-13-14-11-16-9-10-17(12-14)23-16/h1-8,14,16-17,23H,9-13H2,(H,24,25)
InChIKeyDMJKUCQTFUCACH-UHFFFAOYSA-N
XLogP4.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-[2-(4-phenylphenyl)phenyl]carbamate
CID 69311024
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate
CID 11260212
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate
CID 90851842
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate
CID 90693327
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate
CID 91189456
2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid
CID 140562534
2-[[4-[[2-(3-chloro-4-fluorophenyl)-3-fluorophenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid
CID 140562491
8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate
CID 11573985
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-(3-fluoro-2-phenylphenyl)carbamate bromide
CID 69312195
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
CID 79607934
pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
CID 79337811
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid
CID 46737340

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate (CID 11394093) is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate is O=C(Nc1cccc(F)c1-c1ccccc1)OCC1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate?
The InChIKey is DMJKUCQTFUCACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-7-4-8-19(20(18)15-5-2-1-3-6-15)24-21(25)26-13-14-11-16-9-10-17(12-14)23-16/h1-8,14,16-17,23H,9-13H2,(H,24,25).
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate?
8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate has a molecular weight of 354.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate is sourced from PubChem (CID 11394093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).