N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide

C14H18BrNO — CID 80662251

IUPACN-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
SMILESO=C(CC1CC1)N(CCBr)Cc1ccccc1
InChIInChI=1S/C14H18BrNO/c15-8-9-16(14(17)10-12-6-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyUGKZTAWHVITXOI-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.21
Rot. Bonds6

About N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide

N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide (PubChem CID 80662251) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
PubChem CID80662251
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
SMILESO=C(CC1CC1)N(CCBr)Cc1ccccc1
InChIInChI=1S/C14H18BrNO/c15-8-9-16(14(17)10-12-6-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyUGKZTAWHVITXOI-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
CID 54786502
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide
CID 99969717
N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120649694
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 60936936
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide
CID 80656058
N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide
CID 80663058

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide?
The IUPAC name of N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide (CID 80662251) is N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide.
What is the SMILES notation for N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide?
The canonical SMILES for N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide is O=C(CC1CC1)N(CCBr)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide?
The InChIKey is UGKZTAWHVITXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-8-9-16(14(17)10-12-6-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-11H2.
What are the key properties of N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide?
N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide has a molecular weight of 296.21 g/mol, XLogP of 3.21, 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)-2-cyclopropylacetamide is sourced from PubChem (CID 80662251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).