N-(2-bromoethyl)-2-chloroacetamide

C4H7BrClNO — CID 71407386

IUPACN-(2-bromoethyl)-2-chloroacetamide
SMILESO=C(CCl)NCCBr
InChIInChI=1S/C4H7BrClNO/c5-1-2-7-4(8)3-6/h1-3H2,(H,7,8)
InChIKeyHAMDJQDDTWCSOH-UHFFFAOYSA-N
MW200.46 g/mol
LogP0.74
Rot. Bonds3

About N-(2-bromoethyl)-2-chloroacetamide

N-(2-bromoethyl)-2-chloroacetamide (PubChem CID 71407386) has the molecular formula C4H7BrClNO and a molecular weight of 200.46 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-chloroacetamide
PubChem CID71407386
Molecular FormulaC4H7BrClNO
Molecular Weight200.46 g/mol
Exact Mass198.94
IUPAC NameN-(2-bromoethyl)-2-chloroacetamide
SMILESO=C(CCl)NCCBr
InChIInChI=1S/C4H7BrClNO/c5-1-2-7-4(8)3-6/h1-3H2,(H,7,8)
InChIKeyHAMDJQDDTWCSOH-UHFFFAOYSA-N
XLogP0.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.46
LogP ≤ 50.74
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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-chloroacetamide?
The IUPAC name of N-(2-bromoethyl)-2-chloroacetamide (CID 71407386) is N-(2-bromoethyl)-2-chloroacetamide.
What is the SMILES notation for N-(2-bromoethyl)-2-chloroacetamide?
The canonical SMILES for N-(2-bromoethyl)-2-chloroacetamide is O=C(CCl)NCCBr.
What is the InChIKey of N-(2-bromoethyl)-2-chloroacetamide?
The InChIKey is HAMDJQDDTWCSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrClNO/c5-1-2-7-4(8)3-6/h1-3H2,(H,7,8).
What are the key properties of N-(2-bromoethyl)-2-chloroacetamide?
N-(2-bromoethyl)-2-chloroacetamide has a molecular weight of 200.46 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-chloroacetamide is sourced from PubChem (CID 71407386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).