N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide

C17H24BrNO — CID 80662849

IUPACN-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)N(CCBr)Cc2ccccc2)CCCC1
InChIInChI=1S/C17H24BrNO/c1-2-17(10-6-7-11-17)16(20)19(13-12-18)14-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3
InChIKeyLWEDVLMJGGQVBR-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.38
Rot. Bonds6

About N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide

N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 80662849) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide
PubChem CID80662849
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)N(CCBr)Cc2ccccc2)CCCC1
InChIInChI=1S/C17H24BrNO/c1-2-17(10-6-7-11-17)16(20)19(13-12-18)14-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3
InChIKeyLWEDVLMJGGQVBR-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.38
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,1-diethylcyclopentane-1-carboxamide
CID 80661137
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CID 62115129
N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
CID 63130370
N,3-diethyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 63131546
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 54870816
N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
CID 80662251
1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 81172115
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide
CID 115448218
N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide
CID 80663058
1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62116197
N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 83063903
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide (CID 80662849) is N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)N(CCBr)Cc2ccccc2)CCCC1.
What is the InChIKey of N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is LWEDVLMJGGQVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-2-17(10-6-7-11-17)16(20)19(13-12-18)14-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3.
What are the key properties of N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide?
N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 80662849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).