N-(3-bromo-2-oxopropyl)-N-propylacetamide

C8H14BrNO2 — CID 104701106

IUPACN-(3-bromo-2-oxopropyl)-N-propylacetamide
SMILESCCCN(CC(=O)CBr)C(C)=O
InChIInChI=1S/C8H14BrNO2/c1-3-4-10(7(2)11)6-8(12)5-9/h3-6H2,1-2H3
InChIKeyQJQMPGPTRVBHMA-UHFFFAOYSA-N
MW236.11 g/mol
LogP1.21
Rot. Bonds5

About N-(3-bromo-2-oxopropyl)-N-propylacetamide

N-(3-bromo-2-oxopropyl)-N-propylacetamide (PubChem CID 104701106) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is N-(3-bromo-2-oxopropyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(3-bromo-2-oxopropyl)-N-propylacetamide
PubChem CID104701106
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC NameN-(3-bromo-2-oxopropyl)-N-propylacetamide
SMILESCCCN(CC(=O)CBr)C(C)=O
InChIInChI=1S/C8H14BrNO2/c1-3-4-10(7(2)11)6-8(12)5-9/h3-6H2,1-2H3
InChIKeyQJQMPGPTRVBHMA-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxopropyl)-N-propylacetamide
CID 88778030
N-(2-bromoethyl)-N-propylacetamide
CID 80660131
2-[acetyl(propyl)amino]acetic acid
CID 23279438
N-(3-bromo-2-oxopropyl)-N-(2-methylpropyl)acetamide
CID 104701294
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157923
3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998
2-[acetyl(propyl)amino]-N-cyclopropylacetamide
CID 113157902
2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
CID 63680296
N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60756977
N-(2-bromoethyl)-N-butylacetamide
CID 80659482
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-oxopropyl)-N-propylacetamide?
The IUPAC name of N-(3-bromo-2-oxopropyl)-N-propylacetamide (CID 104701106) is N-(3-bromo-2-oxopropyl)-N-propylacetamide.
What is the SMILES notation for N-(3-bromo-2-oxopropyl)-N-propylacetamide?
The canonical SMILES for N-(3-bromo-2-oxopropyl)-N-propylacetamide is CCCN(CC(=O)CBr)C(C)=O.
What is the InChIKey of N-(3-bromo-2-oxopropyl)-N-propylacetamide?
The InChIKey is QJQMPGPTRVBHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2/c1-3-4-10(7(2)11)6-8(12)5-9/h3-6H2,1-2H3.
What are the key properties of N-(3-bromo-2-oxopropyl)-N-propylacetamide?
N-(3-bromo-2-oxopropyl)-N-propylacetamide has a molecular weight of 236.11 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-oxopropyl)-N-propylacetamide is sourced from PubChem (CID 104701106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).