N-(2-bromoethyl)-N-propylacetamide

C7H14BrNO — CID 80660131

IUPACN-(2-bromoethyl)-N-propylacetamide
SMILESCCCN(CCBr)C(C)=O
InChIInChI=1S/C7H14BrNO/c1-3-5-9(6-4-8)7(2)10/h3-6H2,1-2H3
InChIKeyVTXDWWZILBNKEQ-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.64
Rot. Bonds4

About N-(2-bromoethyl)-N-propylacetamide

N-(2-bromoethyl)-N-propylacetamide (PubChem CID 80660131) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-propylacetamide
PubChem CID80660131
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC NameN-(2-bromoethyl)-N-propylacetamide
SMILESCCCN(CCBr)C(C)=O
InChIInChI=1S/C7H14BrNO/c1-3-5-9(6-4-8)7(2)10/h3-6H2,1-2H3
InChIKeyVTXDWWZILBNKEQ-UHFFFAOYSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.64
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-butylacetamide
CID 80659482
N-(2-bromoethyl)-2-methyl-N-propylpropanamide
CID 80660221
N-(3-bromo-2-oxopropyl)-N-propylacetamide
CID 104701106
3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
2-[acetyl(propyl)amino]acetic acid
CID 23279438
N-propyl-N-[2-(propylamino)ethyl]acetamide
CID 118586484
N,N-bis(3-tritiopropyl)acetamide
CID 163679151
N-[3-(methylamino)propyl]-N-propylacetamide
CID 130231961
3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886
N,N-di(pentadecyl)acetamide
CID 174726671

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-propylacetamide?
The IUPAC name of N-(2-bromoethyl)-N-propylacetamide (CID 80660131) is N-(2-bromoethyl)-N-propylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-propylacetamide?
The canonical SMILES for N-(2-bromoethyl)-N-propylacetamide is CCCN(CCBr)C(C)=O.
What is the InChIKey of N-(2-bromoethyl)-N-propylacetamide?
The InChIKey is VTXDWWZILBNKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-3-5-9(6-4-8)7(2)10/h3-6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-propylacetamide?
N-(2-bromoethyl)-N-propylacetamide has a molecular weight of 208.10 g/mol, XLogP of 1.64, 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-propylacetamide is sourced from PubChem (CID 80660131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).