N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C15H18BrNO — CID 2851587

IUPACN-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC3CCC2C3)c(Br)c1
InChIInChI=1S/C15H18BrNO/c1-9-2-5-14(13(16)6-9)17-15(18)12-8-10-3-4-11(12)7-10/h2,5-6,10-12H,3-4,7-8H2,1H3,(H,17,18)
InChIKeyGBPRVFZFHHLXPS-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.13
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2851587) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2851587
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC3CCC2C3)c(Br)c1
InChIInChI=1S/C15H18BrNO/c1-9-2-5-14(13(16)6-9)17-15(18)12-8-10-3-4-11(12)7-10/h2,5-6,10-12H,3-4,7-8H2,1H3,(H,17,18)
InChIKeyGBPRVFZFHHLXPS-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2851587) is N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(NC(=O)C2CC3CCC2C3)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GBPRVFZFHHLXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-9-2-5-14(13(16)6-9)17-15(18)12-8-10-3-4-11(12)7-10/h2,5-6,10-12H,3-4,7-8H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 308.22 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2851587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).