N-(2-bromoethyl)-N-cyclopropylpropanamide

C8H14BrNO — CID 80665634

IUPACN-(2-bromoethyl)-N-cyclopropylpropanamide
SMILESCCC(=O)N(CCBr)C1CC1
InChIInChI=1S/C8H14BrNO/c1-2-8(11)10(6-5-9)7-3-4-7/h7H,2-6H2,1H3
InChIKeyMGQAROYBLHYGCW-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.78
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopropylpropanamide

N-(2-bromoethyl)-N-cyclopropylpropanamide (PubChem CID 80665634) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropylpropanamide
PubChem CID80665634
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC NameN-(2-bromoethyl)-N-cyclopropylpropanamide
SMILESCCC(=O)N(CCBr)C1CC1
InChIInChI=1S/C8H14BrNO/c1-2-8(11)10(6-5-9)7-3-4-7/h7H,2-6H2,1H3
InChIKeyMGQAROYBLHYGCW-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.78
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-(3-bromopropyl)-N-cyclobutylpropanamide
CID 102872394
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
CID 80665638
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide
CID 102873226
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 63679872
methyl 3-[cyclopentyl(propanoyl)amino]propanoate
CID 48865277

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropylpropanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropylpropanamide (CID 80665634) is N-(2-bromoethyl)-N-cyclopropylpropanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropylpropanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropylpropanamide is CCC(=O)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropylpropanamide?
The InChIKey is MGQAROYBLHYGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-2-8(11)10(6-5-9)7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropylpropanamide?
N-(2-bromoethyl)-N-cyclopropylpropanamide has a molecular weight of 220.11 g/mol, XLogP of 1.78, 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-cyclopropylpropanamide is sourced from PubChem (CID 80665634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).