N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide

C14H24BrNO — CID 80659500

IUPACN-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)N(CCBr)C2CCCC2)CCCC1
InChIInChI=1S/C14H24BrNO/c1-14(8-4-5-9-14)13(17)16(11-10-15)12-6-2-3-7-12/h12H,2-11H2,1H3
InChIKeyOVQZSMZLUHNMHC-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.73
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide

N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide (PubChem CID 80659500) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide
PubChem CID80659500
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)N(CCBr)C2CCCC2)CCCC1
InChIInChI=1S/C14H24BrNO/c1-14(8-4-5-9-14)13(17)16(11-10-15)12-6-2-3-7-12/h12H,2-11H2,1H3
InChIKeyOVQZSMZLUHNMHC-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.73
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-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107183930
N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide
CID 80659315
N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpiperidine-4-carboxamide
CID 55178323
2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141423
N-cyclopropyl-N-(2-hydroxyethyl)-4-methylpiperidine-4-carboxamide
CID 63121935
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
N-cyclopentyl-N-(2-hydroxyethyl)-2-methylpiperidine-2-carboxamide
CID 113430794
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide (CID 80659500) is N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide is CC1(C(=O)N(CCBr)C2CCCC2)CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide?
The InChIKey is OVQZSMZLUHNMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c1-14(8-4-5-9-14)13(17)16(11-10-15)12-6-2-3-7-12/h12H,2-11H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide?
N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide has a molecular weight of 302.26 g/mol, XLogP of 3.73, 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-cyclopentyl-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 80659500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).