N-phenylbicyclo[2.2.1]heptane-2-carboxamide

C14H17NO — CID 564627

IUPACN-phenylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C14H17NO/c16-14(15-12-4-2-1-3-5-12)13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2,(H,15,16)
InChIKeyOYBGVILRANZFNU-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.06
Rot. Bonds2

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

N-phenylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 564627) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-phenylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-phenylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID564627
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-phenylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C14H17NO/c16-14(15-12-4-2-1-3-5-12)13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2,(H,15,16)
InChIKeyOYBGVILRANZFNU-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-phenylbicyclo[2.2.1]heptane-2-carboxamide (CID 564627) is N-phenylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-phenylbicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccccc1)C1CC2CCC1C2.
What is the InChIKey of N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OYBGVILRANZFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(15-12-4-2-1-3-5-12)13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2,(H,15,16).
What are the key properties of N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
N-phenylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 215.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 564627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).