N-(2-bromoethyl)-3-phenylpropanamide

C11H14BrNO — CID 4655517

IUPACN-(2-bromoethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCBr
InChIInChI=1S/C11H14BrNO/c12-8-9-13-11(14)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)
InChIKeyRKHBDOZNIAJXRJ-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.13
Rot. Bonds5

About N-(2-bromoethyl)-3-phenylpropanamide

N-(2-bromoethyl)-3-phenylpropanamide (PubChem CID 4655517) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-phenylpropanamide
PubChem CID4655517
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(2-bromoethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCBr
InChIInChI=1S/C11H14BrNO/c12-8-9-13-11(14)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)
InChIKeyRKHBDOZNIAJXRJ-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.13
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 N-(2-bromoethyl)-3-phenylpropanamide?
The IUPAC name of N-(2-bromoethyl)-3-phenylpropanamide (CID 4655517) is N-(2-bromoethyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-bromoethyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-bromoethyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NCCBr.
What is the InChIKey of N-(2-bromoethyl)-3-phenylpropanamide?
The InChIKey is RKHBDOZNIAJXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-8-9-13-11(14)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14).
What are the key properties of N-(2-bromoethyl)-3-phenylpropanamide?
N-(2-bromoethyl)-3-phenylpropanamide has a molecular weight of 256.14 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-phenylpropanamide is sourced from PubChem (CID 4655517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).