2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide

C15H13Br2NO3 — CID 63052653

IUPAC2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
SMILESO=C(COc1ccc(CO)cc1Br)Nc1ccccc1Br
InChIInChI=1S/C15H13Br2NO3/c16-11-3-1-2-4-13(11)18-15(20)9-21-14-6-5-10(8-19)7-12(14)17/h1-7,19H,8-9H2,(H,18,20)
InChIKeyCNUNYTUTEKANTL-UHFFFAOYSA-N
MW415.08 g/mol
LogP3.72
Rot. Bonds5

About 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide

2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide (PubChem CID 63052653) has the molecular formula C15H13Br2NO3 and a molecular weight of 415.08 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
PubChem CID63052653
Molecular FormulaC15H13Br2NO3
Molecular Weight415.08 g/mol
Exact Mass412.93
IUPAC Name2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
SMILESO=C(COc1ccc(CO)cc1Br)Nc1ccccc1Br
InChIInChI=1S/C15H13Br2NO3/c16-11-3-1-2-4-13(11)18-15(20)9-21-14-6-5-10(8-19)7-12(14)17/h1-7,19H,8-9H2,(H,18,20)
InChIKeyCNUNYTUTEKANTL-UHFFFAOYSA-N
XLogP3.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.08
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 1213643
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide
CID 55147530
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
CID 34648957
2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoic acid
CID 53264106
2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
CID 62368515
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729
2-(2-bromo-4-ethylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130889
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3250022

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide (CID 63052653) is 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide is O=C(COc1ccc(CO)cc1Br)Nc1ccccc1Br.
What is the InChIKey of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide?
The InChIKey is CNUNYTUTEKANTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO3/c16-11-3-1-2-4-13(11)18-15(20)9-21-14-6-5-10(8-19)7-12(14)17/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide?
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide has a molecular weight of 415.08 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 63052653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).