3-bromo-N-propylpropanamide

C6H12BrNO — CID 12680973

IUPAC3-bromo-N-propylpropanamide
SMILESCCCNC(=O)CCBr
InChIInChI=1S/C6H12BrNO/c1-2-5-8-6(9)3-4-7/h2-5H2,1H3,(H,8,9)
InChIKeyXDMOWODNXBIHHH-UHFFFAOYSA-N
MW194.07 g/mol
LogP1.30
Rot. Bonds4

About 3-bromo-N-propylpropanamide

3-bromo-N-propylpropanamide (PubChem CID 12680973) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is 3-bromo-N-propylpropanamide.

Molecular Properties

Compound Name3-bromo-N-propylpropanamide
PubChem CID12680973
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC Name3-bromo-N-propylpropanamide
SMILESCCCNC(=O)CCBr
InChIInChI=1S/C6H12BrNO/c1-2-5-8-6(9)3-4-7/h2-5H2,1H3,(H,8,9)
InChIKeyXDMOWODNXBIHHH-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 51.30
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,N'-dipropyldecanediamide
CID 102239298
ethane;N-propylheptanamide
CID 145289188
N-(2-bromoethyl)pentanamide
CID 43133425
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-methylsulfanyl-N-propylpropanamide
CID 60637635
4,4-dimethyl-5-oxo-N-propylhexanamide
CID 88908325
6-acetamido-N-propylhexanamide
CID 60654879
12-oxo-N-propyltridecanamide
CID 135223938
N-propyl-N'-prop-2-ynylbutanediamide
CID 163636488
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
2-(bromomethoxy)-N-propylacetamide
CID 140767535

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-propylpropanamide?
The IUPAC name of 3-bromo-N-propylpropanamide (CID 12680973) is 3-bromo-N-propylpropanamide.
What is the SMILES notation for 3-bromo-N-propylpropanamide?
The canonical SMILES for 3-bromo-N-propylpropanamide is CCCNC(=O)CCBr.
What is the InChIKey of 3-bromo-N-propylpropanamide?
The InChIKey is XDMOWODNXBIHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO/c1-2-5-8-6(9)3-4-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 3-bromo-N-propylpropanamide?
3-bromo-N-propylpropanamide has a molecular weight of 194.07 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-propylpropanamide is sourced from PubChem (CID 12680973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).