N-benzylbicyclo[2.2.1]heptane-2-carboxamide

C15H19NO — CID 5111932

IUPACN-benzylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C15H19NO/c17-15(14-9-12-6-7-13(14)8-12)16-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,16,17)
InChIKeyXDJPRXQVKVZIMU-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.74
Rot. Bonds3

About N-benzylbicyclo[2.2.1]heptane-2-carboxamide

N-benzylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 5111932) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-benzylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-benzylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID5111932
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-benzylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C15H19NO/c17-15(14-9-12-6-7-13(14)8-12)16-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,16,17)
InChIKeyXDJPRXQVKVZIMU-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-benzylbicyclo[2.2.1]heptane-2-carboxamide (CID 5111932) is N-benzylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-benzylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-benzylbicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1ccccc1)C1CC2CCC1C2.
What is the InChIKey of N-benzylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XDJPRXQVKVZIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(14-9-12-6-7-13(14)8-12)16-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,16,17).
What are the key properties of N-benzylbicyclo[2.2.1]heptane-2-carboxamide?
N-benzylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 5111932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).