3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide

C19H20Br2N2O3 — CID 28642354

IUPAC3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C19H20Br2N2O3/c1-13-9-15(20)10-16(21)19(13)26-12-18(25)23(8-7-17(22)24)11-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3,(H2,22,24)
InChIKeyOPBFNAYBUWHDDY-UHFFFAOYSA-N
MW484.19 g/mol
LogP3.80
Rot. Bonds8

About 3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide

3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide (PubChem CID 28642354) has the molecular formula C19H20Br2N2O3 and a molecular weight of 484.19 g/mol. Its IUPAC name is 3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide
PubChem CID28642354
Molecular FormulaC19H20Br2N2O3
Molecular Weight484.19 g/mol
Exact Mass481.98
IUPAC Name3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C19H20Br2N2O3/c1-13-9-15(20)10-16(21)19(13)26-12-18(25)23(8-7-17(22)24)11-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3,(H2,22,24)
InChIKeyOPBFNAYBUWHDDY-UHFFFAOYSA-N
XLogP3.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]ethyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504840
3-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 54790002
3-[benzyl-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 28642601
3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 115949721
3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide
CID 27899305
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096627
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide
CID 107909271
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
3-[benzyl-[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]propanamide
CID 42150550

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide (CID 28642354) is 3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide is Cc1cc(Br)cc(Br)c1OCC(=O)N(CCC(N)=O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide?
The InChIKey is OPBFNAYBUWHDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O3/c1-13-9-15(20)10-16(21)19(13)26-12-18(25)23(8-7-17(22)24)11-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3,(H2,22,24).
What are the key properties of 3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide?
3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide has a molecular weight of 484.19 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 28642354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).