N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C12H13BrN2O — CID 168753842

IUPACN-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC2CC2N1
InChIInChI=1S/C12H13BrN2O/c13-8-2-1-3-9(6-8)14-12(16)11-5-7-4-10(7)15-11/h1-3,6-7,10-11,15H,4-5H2,(H,14,16)
InChIKeyBGGMLROPDABIMX-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.14
Rot. Bonds2

About N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 168753842) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID168753842
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC NameN-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC2CC2N1
InChIInChI=1S/C12H13BrN2O/c13-8-2-1-3-9(6-8)14-12(16)11-5-7-4-10(7)15-11/h1-3,6-7,10-11,15H,4-5H2,(H,14,16)
InChIKeyBGGMLROPDABIMX-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
(1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175857408
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)benzoic acid
CID 61157479
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 1120968
(1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 166518234
N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 140776836
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
(1S,3S,5S)-N-(1H-pyrazol-4-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131089748
N-[3-(phenylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119283949

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 168753842) is N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1cccc(Br)c1)C1CC2CC2N1.
What is the InChIKey of N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is BGGMLROPDABIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-8-2-1-3-9(6-8)14-12(16)11-5-7-4-10(7)15-11/h1-3,6-7,10-11,15H,4-5H2,(H,14,16).
What are the key properties of N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 281.15 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 168753842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).