N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide

C12H16BrNO2 — CID 10469204

IUPACN-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1cc(Br)ccc1OC
InChIInChI=1S/C12H16BrNO2/c1-3-12(15)14-7-6-9-8-10(13)4-5-11(9)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyODRINGCBXAYUEY-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide

N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide (PubChem CID 10469204) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide
PubChem CID10469204
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1cc(Br)ccc1OC
InChIInChI=1S/C12H16BrNO2/c1-3-12(15)14-7-6-9-8-10(13)4-5-11(9)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyODRINGCBXAYUEY-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide (CID 10469204) is N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide is CCC(=O)NCCc1cc(Br)ccc1OC.
What is the InChIKey of N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide?
The InChIKey is ODRINGCBXAYUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-12(15)14-7-6-9-8-10(13)4-5-11(9)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide?
N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide has a molecular weight of 286.17 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 10469204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).