2-bromo-2-cyclopropyl-N-phenylacetamide

C11H12BrNO — CID 57176041

IUPAC2-bromo-2-cyclopropyl-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(Br)C1CC1
InChIInChI=1S/C11H12BrNO/c12-10(8-6-7-8)11(14)13-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,14)
InChIKeyKJIBZBKSDGJBMI-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.80
Rot. Bonds3

About 2-bromo-2-cyclopropyl-N-phenylacetamide

2-bromo-2-cyclopropyl-N-phenylacetamide (PubChem CID 57176041) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-bromo-2-cyclopropyl-N-phenylacetamide.

Molecular Properties

Compound Name2-bromo-2-cyclopropyl-N-phenylacetamide
PubChem CID57176041
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-bromo-2-cyclopropyl-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(Br)C1CC1
InChIInChI=1S/C11H12BrNO/c12-10(8-6-7-8)11(14)13-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,14)
InChIKeyKJIBZBKSDGJBMI-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-2-cyclopropyl-N-phenylacetamide?
The IUPAC name of 2-bromo-2-cyclopropyl-N-phenylacetamide (CID 57176041) is 2-bromo-2-cyclopropyl-N-phenylacetamide.
What is the SMILES notation for 2-bromo-2-cyclopropyl-N-phenylacetamide?
The canonical SMILES for 2-bromo-2-cyclopropyl-N-phenylacetamide is O=C(Nc1ccccc1)C(Br)C1CC1.
What is the InChIKey of 2-bromo-2-cyclopropyl-N-phenylacetamide?
The InChIKey is KJIBZBKSDGJBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10(8-6-7-8)11(14)13-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,14).
What are the key properties of 2-bromo-2-cyclopropyl-N-phenylacetamide?
2-bromo-2-cyclopropyl-N-phenylacetamide has a molecular weight of 254.13 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-cyclopropyl-N-phenylacetamide is sourced from PubChem (CID 57176041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).