N-(2-bromoethyl)-2-cyclopropylpropanamide

C8H14BrNO — CID 83154146

IUPACN-(2-bromoethyl)-2-cyclopropylpropanamide
SMILESCC(C(=O)NCCBr)C1CC1
InChIInChI=1S/C8H14BrNO/c1-6(7-2-3-7)8(11)10-5-4-9/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyZXNOUWVKYQJLJM-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.54
Rot. Bonds4

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

N-(2-bromoethyl)-2-cyclopropylpropanamide (PubChem CID 83154146) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-cyclopropylpropanamide
PubChem CID83154146
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC NameN-(2-bromoethyl)-2-cyclopropylpropanamide
SMILESCC(C(=O)NCCBr)C1CC1
InChIInChI=1S/C8H14BrNO/c1-6(7-2-3-7)8(11)10-5-4-9/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyZXNOUWVKYQJLJM-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide
CID 83151244
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
2-cyclopropyl-N-[2-(propylamino)ethyl]propanamide
CID 115563513
N-(2-amino-2-oxoethyl)-2-cyclopropylpropanamide
CID 79505889
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide
CID 83155195
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
2-cyclopropyl-N-(2-methylprop-2-enyl)propanamide
CID 114619048
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446
2-cyclopropyl-N-pent-4-ynylpropanamide
CID 103721944
N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide
CID 109468079
N-butyl-2-cyclopentylpropanamide
CID 173178636

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-cyclopropylpropanamide?
The IUPAC name of N-(2-bromoethyl)-2-cyclopropylpropanamide (CID 83154146) is N-(2-bromoethyl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(2-bromoethyl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(2-bromoethyl)-2-cyclopropylpropanamide is CC(C(=O)NCCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-2-cyclopropylpropanamide?
The InChIKey is ZXNOUWVKYQJLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-6(7-2-3-7)8(11)10-5-4-9/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(2-bromoethyl)-2-cyclopropylpropanamide?
N-(2-bromoethyl)-2-cyclopropylpropanamide has a molecular weight of 220.11 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 83154146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).