N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

C15H18BrNO — CID 79673733

IUPACN-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(NC(=O)C1C2CCCC21)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO/c1-9(10-5-7-11(16)8-6-10)17-15(18)14-12-3-2-4-13(12)14/h5-9,12-14H,2-4H2,1H3,(H,17,18)
InChIKeyCVNOLMGICRNUCL-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.67
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79673733) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79673733
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(NC(=O)C1C2CCCC21)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO/c1-9(10-5-7-11(16)8-6-10)17-15(18)14-12-3-2-4-13(12)14/h5-9,12-14H,2-4H2,1H3,(H,17,18)
InChIKeyCVNOLMGICRNUCL-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16548243
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
(1S,6S)-6-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93035492
(1R,6S,7R)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-oxabicyclo[4.1.0]heptane-7-carboxamide
CID 166373678
N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593537
N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81359990
N-[(1R)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81360058
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 79673733) is N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is CC(NC(=O)C1C2CCCC21)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is CVNOLMGICRNUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-9(10-5-7-11(16)8-6-10)17-15(18)14-12-3-2-4-13(12)14/h5-9,12-14H,2-4H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 308.22 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79673733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).