N-(2-bromoethyl)-N-(chloromethyl)formamide

C4H7BrClNO — CID 118574673

IUPACN-(2-bromoethyl)-N-(chloromethyl)formamide
SMILESO=CN(CCl)CCBr
InChIInChI=1S/C4H7BrClNO/c5-1-2-7(3-6)4-8/h4H,1-3H2
InChIKeyCLTIQQGBRFURMX-UHFFFAOYSA-N
MW200.46 g/mol
LogP1.04
Rot. Bonds4

About N-(2-bromoethyl)-N-(chloromethyl)formamide

N-(2-bromoethyl)-N-(chloromethyl)formamide (PubChem CID 118574673) has the molecular formula C4H7BrClNO and a molecular weight of 200.46 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(chloromethyl)formamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(chloromethyl)formamide
PubChem CID118574673
Molecular FormulaC4H7BrClNO
Molecular Weight200.46 g/mol
Exact Mass198.94
IUPAC NameN-(2-bromoethyl)-N-(chloromethyl)formamide
SMILESO=CN(CCl)CCBr
InChIInChI=1S/C4H7BrClNO/c5-1-2-7(3-6)4-8/h4H,1-3H2
InChIKeyCLTIQQGBRFURMX-UHFFFAOYSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.46
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-(chloromethyl)formamide 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-(2-bromoethyl)-N-(chloromethyl)formamide?
The IUPAC name of N-(2-bromoethyl)-N-(chloromethyl)formamide (CID 118574673) is N-(2-bromoethyl)-N-(chloromethyl)formamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(chloromethyl)formamide?
The canonical SMILES for N-(2-bromoethyl)-N-(chloromethyl)formamide is O=CN(CCl)CCBr.
What is the InChIKey of N-(2-bromoethyl)-N-(chloromethyl)formamide?
The InChIKey is CLTIQQGBRFURMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrClNO/c5-1-2-7(3-6)4-8/h4H,1-3H2.
What are the key properties of N-(2-bromoethyl)-N-(chloromethyl)formamide?
N-(2-bromoethyl)-N-(chloromethyl)formamide has a molecular weight of 200.46 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(chloromethyl)formamide is sourced from PubChem (CID 118574673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).