N-ethyl-N-propylcarbamoyl bromide

C6H12BrNO — CID 140982143

IUPACN-ethyl-N-propylcarbamoyl bromide
SMILESCCCN(CC)C(=O)Br
InChIInChI=1S/C6H12BrNO/c1-3-5-8(4-2)6(7)9/h3-5H2,1-2H3
InChIKeyCTYSGQYOBJPRST-UHFFFAOYSA-N
MW194.07 g/mol
LogP2.23
Rot. Bonds3

About N-ethyl-N-propylcarbamoyl bromide

N-ethyl-N-propylcarbamoyl bromide (PubChem CID 140982143) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is N-ethyl-N-propylcarbamoyl bromide.

Molecular Properties

Compound NameN-ethyl-N-propylcarbamoyl bromide
PubChem CID140982143
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC NameN-ethyl-N-propylcarbamoyl bromide
SMILESCCCN(CC)C(=O)Br
InChIInChI=1S/C6H12BrNO/c1-3-5-8(4-2)6(7)9/h3-5H2,1-2H3
InChIKeyCTYSGQYOBJPRST-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylcarbamoyl bromide?
The IUPAC name of N-ethyl-N-propylcarbamoyl bromide (CID 140982143) is N-ethyl-N-propylcarbamoyl bromide.
What is the SMILES notation for N-ethyl-N-propylcarbamoyl bromide?
The canonical SMILES for N-ethyl-N-propylcarbamoyl bromide is CCCN(CC)C(=O)Br.
What is the InChIKey of N-ethyl-N-propylcarbamoyl bromide?
The InChIKey is CTYSGQYOBJPRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO/c1-3-5-8(4-2)6(7)9/h3-5H2,1-2H3.
What are the key properties of N-ethyl-N-propylcarbamoyl bromide?
N-ethyl-N-propylcarbamoyl bromide has a molecular weight of 194.07 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylcarbamoyl bromide is sourced from PubChem (CID 140982143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).