N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide

C18H28BrNO — CID 81098879

IUPACN-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide
SMILESO=C(C1C2CC3CC(C2)CC1C3)N(CCBr)C1CCCC1
InChIInChI=1S/C18H28BrNO/c19-5-6-20(16-3-1-2-4-16)18(21)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,1-11H2
InChIKeyOKKCNOIFNFPIKO-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.22
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide

N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide (PubChem CID 81098879) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide
PubChem CID81098879
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide
SMILESO=C(C1C2CC3CC(C2)CC1C3)N(CCBr)C1CCCC1
InChIInChI=1S/C18H28BrNO/c19-5-6-20(16-3-1-2-4-16)18(21)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,1-11H2
InChIKeyOKKCNOIFNFPIKO-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide
CID 102872445
N-(2-bromoethyl)-N-cyclopentyl-1,4-dioxane-2-carboxamide
CID 80658716
N-butyl-N-(1,1-dioxothiolan-3-yl)adamantane-2-carboxamide
CID 134026791
N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107183930
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
N-cyclobutyl-N-(2-hydroxyethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 102685011
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide
CID 80678303
2-[adamantane-2-carbonyl(propyl)amino]acetic acid
CID 81096544
N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide
CID 80659315
N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide
CID 80659500

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide (CID 81098879) is N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide is O=C(C1C2CC3CC(C2)CC1C3)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide?
The InChIKey is OKKCNOIFNFPIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c19-5-6-20(16-3-1-2-4-16)18(21)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,1-11H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide?
N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyladamantane-2-carboxamide is sourced from PubChem (CID 81098879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).