N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide

C16H12Br2N2O5 — CID 39411957

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H12Br2N2O5/c17-9-1-3-12(11(18)5-9)23-7-15(21)20-16(22)19-10-2-4-13-14(6-10)25-8-24-13/h1-6H,7-8H2,(H2,19,20,21,22)
InChIKeyCXUYWYFFKGDVAP-UHFFFAOYSA-N
MW472.09 g/mol
LogP3.67
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide (PubChem CID 39411957) has the molecular formula C16H12Br2N2O5 and a molecular weight of 472.09 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
PubChem CID39411957
Molecular FormulaC16H12Br2N2O5
Molecular Weight472.09 g/mol
Exact Mass469.91
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H12Br2N2O5/c17-9-1-3-12(11(18)5-9)23-7-15(21)20-16(22)19-10-2-4-13-14(6-10)25-8-24-13/h1-6H,7-8H2,(H2,19,20,21,22)
InChIKeyCXUYWYFFKGDVAP-UHFFFAOYSA-N
XLogP3.67
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.09
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-formylphenoxy)acetamide
CID 7820174
2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 27266869
N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786798
2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4826482
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2571071
2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 2703879
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827
2-(4-bromo-2-formylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7819897
N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 7916017
2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2632532
2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
CID 3310435
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide (CID 39411957) is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide is O=C(COc1ccc(Br)cc1Br)NC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide?
The InChIKey is CXUYWYFFKGDVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O5/c17-9-1-3-12(11(18)5-9)23-7-15(21)20-16(22)19-10-2-4-13-14(6-10)25-8-24-13/h1-6H,7-8H2,(H2,19,20,21,22).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide has a molecular weight of 472.09 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide is sourced from PubChem (CID 39411957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).