N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C18H22BrNO2 — CID 16548243

IUPACN-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(NC(=O)C1CC2CCCC(C1)C2=O)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrNO2/c1-11(12-5-7-16(19)8-6-12)20-18(22)15-9-13-3-2-4-14(10-15)17(13)21/h5-8,11,13-15H,2-4,9-10H2,1H3,(H,20,22)
InChIKeyCANFQBGOLKJLEY-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.02
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 16548243) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID16548243
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC NameN-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(NC(=O)C1CC2CCCC(C1)C2=O)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrNO2/c1-11(12-5-7-16(19)8-6-12)20-18(22)15-9-13-3-2-4-14(10-15)17(13)21/h5-8,11,13-15H,2-4,9-10H2,1H3,(H,20,22)
InChIKeyCANFQBGOLKJLEY-UHFFFAOYSA-N
XLogP4.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43007222
(1S,5R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 26526461
N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79673733
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42958521
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187272
N-[(1R)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81360058
N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81359990
1-[(1S)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 106831663

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 16548243) is N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is CC(NC(=O)C1CC2CCCC(C1)C2=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is CANFQBGOLKJLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO2/c1-11(12-5-7-16(19)8-6-12)20-18(22)15-9-13-3-2-4-14(10-15)17(13)21/h5-8,11,13-15H,2-4,9-10H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 16548243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).