2-[(2-bromoacetyl)amino]-N-butylacetamide

C8H15BrN2O2 — CID 82110073

IUPAC2-[(2-bromoacetyl)amino]-N-butylacetamide
SMILESCCCCNC(=O)CNC(=O)CBr
InChIInChI=1S/C8H15BrN2O2/c1-2-3-4-10-8(13)6-11-7(12)5-9/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyWUOLRYMNQPLKPY-UHFFFAOYSA-N
MW251.12 g/mol
LogP0.41
Rot. Bonds6

About 2-[(2-bromoacetyl)amino]-N-butylacetamide

2-[(2-bromoacetyl)amino]-N-butylacetamide (PubChem CID 82110073) has the molecular formula C8H15BrN2O2 and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-[(2-bromoacetyl)amino]-N-butylacetamide.

Molecular Properties

Compound Name2-[(2-bromoacetyl)amino]-N-butylacetamide
PubChem CID82110073
Molecular FormulaC8H15BrN2O2
Molecular Weight251.12 g/mol
Exact Mass250.03
IUPAC Name2-[(2-bromoacetyl)amino]-N-butylacetamide
SMILESCCCCNC(=O)CNC(=O)CBr
InChIInChI=1S/C8H15BrN2O2/c1-2-3-4-10-8(13)6-11-7(12)5-9/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyWUOLRYMNQPLKPY-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
CID 82108968
2-[(2-bromoacetyl)amino]-N-ethylacetamide
CID 58987159
2-bromo-N-[(E)-octadec-9-enyl]acetamide
CID 25125277
[2-(butylamino)-2-oxoethyl]carbamothioic S-acid
CID 130217522
N-butyl-2-(carbamoylamino)acetamide;propane
CID 142017204
N-butyl-2-(carbamothioylamino)acetamide
CID 86103798
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 115574241
6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 134550363

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromoacetyl)amino]-N-butylacetamide?
The IUPAC name of 2-[(2-bromoacetyl)amino]-N-butylacetamide (CID 82110073) is 2-[(2-bromoacetyl)amino]-N-butylacetamide.
What is the SMILES notation for 2-[(2-bromoacetyl)amino]-N-butylacetamide?
The canonical SMILES for 2-[(2-bromoacetyl)amino]-N-butylacetamide is CCCCNC(=O)CNC(=O)CBr.
What is the InChIKey of 2-[(2-bromoacetyl)amino]-N-butylacetamide?
The InChIKey is WUOLRYMNQPLKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O2/c1-2-3-4-10-8(13)6-11-7(12)5-9/h2-6H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(2-bromoacetyl)amino]-N-butylacetamide?
2-[(2-bromoacetyl)amino]-N-butylacetamide has a molecular weight of 251.12 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromoacetyl)amino]-N-butylacetamide is sourced from PubChem (CID 82110073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).