3-[[2-(4-bromophenoxy)acetyl]amino]propanamide

C11H13BrN2O3 — CID 122142658

IUPAC3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
SMILESNC(=O)CCNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3/c12-8-1-3-9(4-2-8)17-7-11(16)14-6-5-10(13)15/h1-4H,5-7H2,(H2,13,15)(H,14,16)
InChIKeyPLPVAHYODUOPND-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.82
Rot. Bonds6

About 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide

3-[[2-(4-bromophenoxy)acetyl]amino]propanamide (PubChem CID 122142658) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
PubChem CID122142658
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
SMILESNC(=O)CCNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3/c12-8-1-3-9(4-2-8)17-7-11(16)14-6-5-10(13)15/h1-4H,5-7H2,(H2,13,15)(H,14,16)
InChIKeyPLPVAHYODUOPND-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
CID 9011663
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107319029
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
CID 4991796
[[2-(4-bromophenoxy)acetyl]amino]thiourea
CID 46706012
N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
CID 62666698
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 38611489
2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide
CID 99818572

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide?
The IUPAC name of 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide (CID 122142658) is 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide.
What is the SMILES notation for 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide?
The canonical SMILES for 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide is NC(=O)CCNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide?
The InChIKey is PLPVAHYODUOPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-8-1-3-9(4-2-8)17-7-11(16)14-6-5-10(13)15/h1-4H,5-7H2,(H2,13,15)(H,14,16).
What are the key properties of 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide?
3-[[2-(4-bromophenoxy)acetyl]amino]propanamide has a molecular weight of 301.14 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromophenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 122142658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).