N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide

C18H16BrNO5 — CID 10835152

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1Br)OCO2)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H16BrNO5/c19-17-12(2-4-14-18(17)25-10-23-14)8-16(21)20-6-5-11-1-3-13-15(7-11)24-9-22-13/h1-4,7H,5-6,8-10H2,(H,20,21)
InChIKeySPDGRYXWSGSPGU-UHFFFAOYSA-N
MW406.23 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide (PubChem CID 10835152) has the molecular formula C18H16BrNO5 and a molecular weight of 406.23 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide
PubChem CID10835152
Molecular FormulaC18H16BrNO5
Molecular Weight406.23 g/mol
Exact Mass405.02
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1Br)OCO2)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H16BrNO5/c19-17-12(2-4-14-18(17)25-10-23-14)8-16(21)20-6-5-11-1-3-13-15(7-11)24-9-22-13/h1-4,7H,5-6,8-10H2,(H,20,21)
InChIKeySPDGRYXWSGSPGU-UHFFFAOYSA-N
XLogP2.81
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361
2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 110767389
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
3-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]butanamide
CID 115154322
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-bromo-2-fluorobenzamide
CID 18117976
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 18117801
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide
CID 35371796
N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 18117931
N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 17463093
N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-4-chlorobenzamide
CID 18159580
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethylphenyl)propanamide
CID 18129704

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide (CID 10835152) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide is O=C(Cc1ccc2c(c1Br)OCO2)NCCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is SPDGRYXWSGSPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO5/c19-17-12(2-4-14-18(17)25-10-23-14)8-16(21)20-6-5-11-1-3-13-15(7-11)24-9-22-13/h1-4,7H,5-6,8-10H2,(H,20,21).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 406.23 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 10835152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).