N-(2-bromoethyl)-N-butylacetamide

C8H16BrNO — CID 80659482

IUPACN-(2-bromoethyl)-N-butylacetamide
SMILESCCCCN(CCBr)C(C)=O
InChIInChI=1S/C8H16BrNO/c1-3-4-6-10(7-5-9)8(2)11/h3-7H2,1-2H3
InChIKeyVIZNIWUOQBKITL-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.03
Rot. Bonds5

About N-(2-bromoethyl)-N-butylacetamide

N-(2-bromoethyl)-N-butylacetamide (PubChem CID 80659482) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butylacetamide
PubChem CID80659482
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC NameN-(2-bromoethyl)-N-butylacetamide
SMILESCCCCN(CCBr)C(C)=O
InChIInChI=1S/C8H16BrNO/c1-3-4-6-10(7-5-9)8(2)11/h3-7H2,1-2H3
InChIKeyVIZNIWUOQBKITL-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.03
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-propylacetamide
CID 80660131
2-bromoethyl(butyl)carbamic acid
CID 87814426
N-butyl-N-heptylacetamide
CID 91713167
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-(2-bromoethyl)-N-butyloctanamide
CID 80658698
N-(2-bromoethyl)-N-butyl-2-propylpentanamide
CID 82987659
3-bromopropyl(butyl)carbamic acid
CID 118525445
N-butyl-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113052446
N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen
CID 142122346
N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603989

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butylacetamide?
The IUPAC name of N-(2-bromoethyl)-N-butylacetamide (CID 80659482) is N-(2-bromoethyl)-N-butylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-butylacetamide?
The canonical SMILES for N-(2-bromoethyl)-N-butylacetamide is CCCCN(CCBr)C(C)=O.
What is the InChIKey of N-(2-bromoethyl)-N-butylacetamide?
The InChIKey is VIZNIWUOQBKITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-3-4-6-10(7-5-9)8(2)11/h3-7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-butylacetamide?
N-(2-bromoethyl)-N-butylacetamide has a molecular weight of 222.13 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butylacetamide is sourced from PubChem (CID 80659482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).