2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

C8H13BrN2O2 — CID 107903396

IUPAC2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
SMILESCC(Br)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C8H13BrN2O2/c1-5(9)8(13)10-4-7(12)11-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyDXPATPVSACXIKF-UHFFFAOYSA-N
MW249.11 g/mol
LogP0.16
Rot. Bonds4

About 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide (PubChem CID 107903396) has the molecular formula C8H13BrN2O2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
PubChem CID107903396
Molecular FormulaC8H13BrN2O2
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
SMILESCC(Br)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C8H13BrN2O2/c1-5(9)8(13)10-4-7(12)11-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyDXPATPVSACXIKF-UHFFFAOYSA-N
XLogP0.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide 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-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 79195915
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 79025256
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide
CID 130620155
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
2-(cyclopropylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 60842326
5-amino-N-[2-(cyclopropylamino)-2-oxoethyl]hexanamide
CID 82848963
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 18163880
N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide
CID 110353882

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The IUPAC name of 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide (CID 107903396) is 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide is CC(Br)C(=O)NCC(=O)NC1CC1.
What is the InChIKey of 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The InChIKey is DXPATPVSACXIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2/c1-5(9)8(13)10-4-7(12)11-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide has a molecular weight of 249.11 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 107903396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).