2-bromo-N,N-diethylbutanamide

C8H16BrNO — CID 11096175

IUPAC2-bromo-N,N-diethylbutanamide
SMILESCCC(Br)C(=O)N(CC)CC
InChIInChI=1S/C8H16BrNO/c1-4-7(9)8(11)10(5-2)6-3/h7H,4-6H2,1-3H3
InChIKeyHCCISENHKZNNDZ-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.03
Rot. Bonds4

About 2-bromo-N,N-diethylbutanamide

2-bromo-N,N-diethylbutanamide (PubChem CID 11096175) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 2-bromo-N,N-diethylbutanamide.

Molecular Properties

Compound Name2-bromo-N,N-diethylbutanamide
PubChem CID11096175
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name2-bromo-N,N-diethylbutanamide
SMILESCCC(Br)C(=O)N(CC)CC
InChIInChI=1S/C8H16BrNO/c1-4-7(9)8(11)10(5-2)6-3/h7H,4-6H2,1-3H3
InChIKeyHCCISENHKZNNDZ-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-N,N-dibutylacetamide
CID 3016161
3-Bromo-1-methylpyrrolidin-2-one
CID 11182954
3-Bromo-1-ethylpyrrolidin-2-one
CID 13900227
2-Bromo-N,N-dimethylbutanamide
CID 3016061
Propanamide, N,N-dibutyl-2-bromo-
CID 533067
3-bromo-N-ethyl-N-methylpropanamide
CID 104190263
2,3-Dibromopropionic acid butylmethylamide
CID 153408973
2,3-Dibromo succnic acid N,N-diethylamide
CID 284856
3-Bromo-n,n-diethylpropanamide
CID 226112
Pentanamide, N,N-dibutyl-5-bromo-
CID 532964
Propanamide, N,N-dihexyl-2-bromo-
CID 533069
2-Bromo-n,n-diethylpropanamide
CID 219646

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-diethylbutanamide?
The IUPAC name of 2-bromo-N,N-diethylbutanamide (CID 11096175) is 2-bromo-N,N-diethylbutanamide.
What is the SMILES notation for 2-bromo-N,N-diethylbutanamide?
The canonical SMILES for 2-bromo-N,N-diethylbutanamide is CCC(Br)C(=O)N(CC)CC.
What is the InChIKey of 2-bromo-N,N-diethylbutanamide?
The InChIKey is HCCISENHKZNNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-4-7(9)8(11)10(5-2)6-3/h7H,4-6H2,1-3H3.
What are the key properties of 2-bromo-N,N-diethylbutanamide?
2-bromo-N,N-diethylbutanamide has a molecular weight of 222.13 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-diethylbutanamide is sourced from PubChem (CID 11096175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).