N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide

C15H20BrNO — CID 80658813

IUPACN-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(CCBr)C1CCCC1
InChIInChI=1S/C15H20BrNO/c1-12-6-2-5-9-14(12)15(18)17(11-10-16)13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3
InChIKeySUKBOAJEGIKAOH-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.77
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide

N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide (PubChem CID 80658813) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
PubChem CID80658813
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(CCBr)C1CCCC1
InChIInChI=1S/C15H20BrNO/c1-12-6-2-5-9-14(12)15(18)17(11-10-16)13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3
InChIKeySUKBOAJEGIKAOH-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.77
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-cyclopentyl-2-hydroxybenzamide
CID 80659305
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
4-bromo-N-(2-bromoethyl)-N-cyclohexyl-2-methylbenzamide
CID 80658918
N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
CID 80659872
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
CID 80652592
N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 80659112
N-(2-bromoethyl)-N-cyclohexyl-2-nitrobenzamide
CID 80652468
N-(2-bromoethyl)-N-cyclopentyl-2-methyl-4-nitrobenzamide
CID 80656420
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide (CID 80658813) is N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide is Cc1ccccc1C(=O)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide?
The InChIKey is SUKBOAJEGIKAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-12-6-2-5-9-14(12)15(18)17(11-10-16)13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide?
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide has a molecular weight of 310.23 g/mol, XLogP of 3.77, 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-2-methylbenzamide is sourced from PubChem (CID 80658813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).