2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide

C12H16BrNO2 — CID 107906044

IUPAC2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)C(C)Br)c1
InChIInChI=1S/C12H16BrNO2/c1-9(13)12(15)14-7-6-10-4-3-5-11(8-10)16-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyPNJYIZIBIIAQSI-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.14
Rot. Bonds5

About 2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide

2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 107906044) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID107906044
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)C(C)Br)c1
InChIInChI=1S/C12H16BrNO2/c1-9(13)12(15)14-7-6-10-4-3-5-11(8-10)16-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyPNJYIZIBIIAQSI-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-cyclopentyl-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110355667
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 107906044) is 2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)C(C)Br)c1.
What is the InChIKey of 2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is PNJYIZIBIIAQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(13)12(15)14-7-6-10-4-3-5-11(8-10)16-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide?
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 286.17 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 107906044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).