2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane

C9H18BrClN2O — CID 158723630

IUPAC2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane
SMILESCCl.O=C(CBr)NCCN1CCCC1
InChIInChI=1S/C8H15BrN2O.CH3Cl/c9-7-8(12)10-3-6-11-4-1-2-5-11;1-2/h1-7H2,(H,10,12);1H3
InChIKeyIKFLIEKXBCSILL-UHFFFAOYSA-N
MW285.61 g/mol
LogP1.45
Rot. Bonds4

About 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane

2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane (PubChem CID 158723630) has the molecular formula C9H18BrClN2O and a molecular weight of 285.61 g/mol. Its IUPAC name is 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane.

Molecular Properties

Compound Name2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane
PubChem CID158723630
Molecular FormulaC9H18BrClN2O
Molecular Weight285.61 g/mol
Exact Mass284.03
IUPAC Name2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane
SMILESCCl.O=C(CBr)NCCN1CCCC1
InChIInChI=1S/C8H15BrN2O.CH3Cl/c9-7-8(12)10-3-6-11-4-1-2-5-11;1-2/h1-7H2,(H,10,12);1H3
InChIKeyIKFLIEKXBCSILL-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.61
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane?
The IUPAC name of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane (CID 158723630) is 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane.
What is the SMILES notation for 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane?
The canonical SMILES for 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane is CCl.O=C(CBr)NCCN1CCCC1.
What is the InChIKey of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane?
The InChIKey is IKFLIEKXBCSILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O.CH3Cl/c9-7-8(12)10-3-6-11-4-1-2-5-11;1-2/h1-7H2,(H,10,12);1H3.
What are the key properties of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane?
2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane has a molecular weight of 285.61 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane is sourced from PubChem (CID 158723630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).