N-ethyl-N-methylcarbamoyl bromide

C4H8BrNO — CID 54570671

IUPACN-ethyl-N-methylcarbamoyl bromide
SMILESCCN(C)C(=O)Br
InChIInChI=1S/C4H8BrNO/c1-3-6(2)4(5)7/h3H2,1-2H3
InChIKeyZXAFYFAVCBRKEK-UHFFFAOYSA-N
MW166.02 g/mol
LogP1.45
Rot. Bonds1

About N-ethyl-N-methylcarbamoyl bromide

N-ethyl-N-methylcarbamoyl bromide (PubChem CID 54570671) has the molecular formula C4H8BrNO and a molecular weight of 166.02 g/mol. Its IUPAC name is N-ethyl-N-methylcarbamoyl bromide.

Molecular Properties

Compound NameN-ethyl-N-methylcarbamoyl bromide
PubChem CID54570671
Molecular FormulaC4H8BrNO
Molecular Weight166.02 g/mol
Exact Mass164.98
IUPAC NameN-ethyl-N-methylcarbamoyl bromide
SMILESCCN(C)C(=O)Br
InChIInChI=1S/C4H8BrNO/c1-3-6(2)4(5)7/h3H2,1-2H3
InChIKeyZXAFYFAVCBRKEK-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.02
LogP ≤ 51.45
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'}

Analyze N-ethyl-N-methylcarbamoyl bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylcarbamoyl bromide?
The IUPAC name of N-ethyl-N-methylcarbamoyl bromide (CID 54570671) is N-ethyl-N-methylcarbamoyl bromide.
What is the SMILES notation for N-ethyl-N-methylcarbamoyl bromide?
The canonical SMILES for N-ethyl-N-methylcarbamoyl bromide is CCN(C)C(=O)Br.
What is the InChIKey of N-ethyl-N-methylcarbamoyl bromide?
The InChIKey is ZXAFYFAVCBRKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrNO/c1-3-6(2)4(5)7/h3H2,1-2H3.
What are the key properties of N-ethyl-N-methylcarbamoyl bromide?
N-ethyl-N-methylcarbamoyl bromide has a molecular weight of 166.02 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylcarbamoyl bromide is sourced from PubChem (CID 54570671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).