N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide

C17H15Br2NO3 — CID 39166764

IUPACN-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C17H15Br2NO3/c1-2-16(21)11-3-6-13(7-4-11)23-10-17(22)20-15-9-12(18)5-8-14(15)19/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyPFKDWJAKQLKIHV-UHFFFAOYSA-N
MW441.12 g/mol
LogP4.82
Rot. Bonds6

About N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide

N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 39166764) has the molecular formula C17H15Br2NO3 and a molecular weight of 441.12 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID39166764
Molecular FormulaC17H15Br2NO3
Molecular Weight441.12 g/mol
Exact Mass438.94
IUPAC NameN-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C17H15Br2NO3/c1-2-16(21)11-3-6-13(7-4-11)23-10-17(22)20-15-9-12(18)5-8-14(15)19/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyPFKDWJAKQLKIHV-UHFFFAOYSA-N
XLogP4.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.12
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 16613998
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
ethyl 4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]benzoate
CID 34568390
N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
CID 55677230
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-propanoylphenoxy)acetamide
CID 17394310
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855164
N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide
CID 56522918

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide (CID 39166764) is N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2cc(Br)ccc2Br)cc1.
What is the InChIKey of N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is PFKDWJAKQLKIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO3/c1-2-16(21)11-3-6-13(7-4-11)23-10-17(22)20-15-9-12(18)5-8-14(15)19/h3-9H,2,10H2,1H3,(H,20,22).
What are the key properties of N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide?
N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 441.12 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 39166764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).