N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide

C15H18BrNO — CID 102851737

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
SMILESO=C(NC1CC2CCC1C2)c1ccc(CBr)cc1
InChIInChI=1S/C15H18BrNO/c16-9-10-1-4-12(5-2-10)15(18)17-14-8-11-3-6-13(14)7-11/h1-2,4-5,11,13-14H,3,6-9H2,(H,17,18)
InChIKeyHEETXHSDSNZJIE-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.50
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide

N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide (PubChem CID 102851737) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
PubChem CID102851737
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
SMILESO=C(NC1CC2CCC1C2)c1ccc(CBr)cc1
InChIInChI=1S/C15H18BrNO/c16-9-10-1-4-12(5-2-10)15(18)17-14-8-11-3-6-13(14)7-11/h1-2,4-5,11,13-14H,3,6-9H2,(H,17,18)
InChIKeyHEETXHSDSNZJIE-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 98112476
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(phenylsulfanylmethyl)benzamide
CID 958858
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
CID 11630293
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
CID 50975798
N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283519
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 99643437
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
CID 107075411

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide (CID 102851737) is N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide is O=C(NC1CC2CCC1C2)c1ccc(CBr)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide?
The InChIKey is HEETXHSDSNZJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-9-10-1-4-12(5-2-10)15(18)17-14-8-11-3-6-13(14)7-11/h1-2,4-5,11,13-14H,3,6-9H2,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide has a molecular weight of 308.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide is sourced from PubChem (CID 102851737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).