N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H18BrNO — CID 113274446

IUPACN-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccc1CBr)C1CC2CCC1C2
InChIInChI=1S/C15H18BrNO/c16-9-12-3-1-2-4-14(12)17-15(18)13-8-10-5-6-11(13)7-10/h1-4,10-11,13H,5-9H2,(H,17,18)
InChIKeyIJCUIWMDURPQPD-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.96
Rot. Bonds3

About N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 113274446) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID113274446
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccc1CBr)C1CC2CCC1C2
InChIInChI=1S/C15H18BrNO/c16-9-12-3-1-2-4-14(12)17-15(18)13-8-10-5-6-11(13)7-10/h1-4,10-11,13H,5-9H2,(H,17,18)
InChIKeyIJCUIWMDURPQPD-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-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

(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7448839
(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6952490
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114309765
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331
N-[2-(3-hydroxyprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60802196
N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64793995
ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 113274446) is N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccccc1CBr)C1CC2CCC1C2.
What is the InChIKey of N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IJCUIWMDURPQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-9-12-3-1-2-4-14(12)17-15(18)13-8-10-5-6-11(13)7-10/h1-4,10-11,13H,5-9H2,(H,17,18).
What are the key properties of N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 308.22 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 113274446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).