N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide

C15H24BrNO — CID 102872445

IUPACN-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(C1CC2CCC1C2)N(CCCBr)C1CCC1
InChIInChI=1S/C15H24BrNO/c16-7-2-8-17(13-3-1-4-13)15(18)14-10-11-5-6-12(14)9-11/h11-14H,1-10H2
InChIKeyYSMOQFOVDABSMX-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.59
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide

N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 102872445) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID102872445
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(C1CC2CCC1C2)N(CCCBr)C1CCC1
InChIInChI=1S/C15H24BrNO/c16-7-2-8-17(13-3-1-4-13)15(18)14-10-11-5-6-12(14)9-11/h11-14H,1-10H2
InChIKeyYSMOQFOVDABSMX-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide (CID 102872445) is N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide is O=C(C1CC2CCC1C2)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YSMOQFOVDABSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c16-7-2-8-17(13-3-1-4-13)15(18)14-10-11-5-6-12(14)9-11/h11-14H,1-10H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide?
N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 102872445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).