2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide

C19H19BrN2O4 — CID 4786420

IUPAC2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1Br
InChIInChI=1S/C19H19BrN2O4/c1-2-22(19(24)14-5-3-4-6-15(14)20)12-18(23)21-13-7-8-16-17(11-13)26-10-9-25-16/h3-8,11H,2,9-10,12H2,1H3,(H,21,23)
InChIKeyWOTLTNJUCYWYNI-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.32
Rot. Bonds5

About 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide

2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide (PubChem CID 4786420) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
PubChem CID4786420
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1Br
InChIInChI=1S/C19H19BrN2O4/c1-2-22(19(24)14-5-3-4-6-15(14)20)12-18(23)21-13-7-8-16-17(11-13)26-10-9-25-16/h3-8,11H,2,9-10,12H2,1H3,(H,21,23)
InChIKeyWOTLTNJUCYWYNI-UHFFFAOYSA-N
XLogP3.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-fluorobenzamide
CID 27833658
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55755078
2,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide
CID 27833583
2-(2-cyanophenyl)sulfanyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 55344502
5-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide;hydrochloride
CID 120617392
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3,5-difluorobenzamide
CID 27833437
3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 27833523
6-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119179461
2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 9094853
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 27833410
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 43022678
3-cyano-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51158448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?
The IUPAC name of 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide (CID 4786420) is 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?
The InChIKey is WOTLTNJUCYWYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-2-22(19(24)14-5-3-4-6-15(14)20)12-18(23)21-13-7-8-16-17(11-13)26-10-9-25-16/h3-8,11H,2,9-10,12H2,1H3,(H,21,23).
What are the key properties of 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?
2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide has a molecular weight of 419.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide is sourced from PubChem (CID 4786420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).