N-(2-bromocyclopentyl)adamantane-2-carboxamide

C16H24BrNO — CID 81095777

IUPACN-(2-bromocyclopentyl)adamantane-2-carboxamide
SMILESO=C(NC1CCCC1Br)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24BrNO/c17-13-2-1-3-14(13)18-16(19)15-11-5-9-4-10(7-11)8-12(15)6-9/h9-15H,1-8H2,(H,18,19)
InChIKeyLSWXETNTZRGXPF-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.49
Rot. Bonds2

About N-(2-bromocyclopentyl)adamantane-2-carboxamide

N-(2-bromocyclopentyl)adamantane-2-carboxamide (PubChem CID 81095777) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)adamantane-2-carboxamide
PubChem CID81095777
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(2-bromocyclopentyl)adamantane-2-carboxamide
SMILESO=C(NC1CCCC1Br)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24BrNO/c17-13-2-1-3-14(13)18-16(19)15-11-5-9-4-10(7-11)8-12(15)6-9/h9-15H,1-8H2,(H,18,19)
InChIKeyLSWXETNTZRGXPF-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
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-(2-bromocyclopentyl)adamantane-2-carboxamide?
The IUPAC name of N-(2-bromocyclopentyl)adamantane-2-carboxamide (CID 81095777) is N-(2-bromocyclopentyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2-bromocyclopentyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2-bromocyclopentyl)adamantane-2-carboxamide is O=C(NC1CCCC1Br)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-bromocyclopentyl)adamantane-2-carboxamide?
The InChIKey is LSWXETNTZRGXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c17-13-2-1-3-14(13)18-16(19)15-11-5-9-4-10(7-11)8-12(15)6-9/h9-15H,1-8H2,(H,18,19).
What are the key properties of N-(2-bromocyclopentyl)adamantane-2-carboxamide?
N-(2-bromocyclopentyl)adamantane-2-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)adamantane-2-carboxamide is sourced from PubChem (CID 81095777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).