2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

C20H19BrN2O5 — CID 24568129

IUPAC2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C20H19BrN2O5/c21-16-9-18-19(28-8-7-27-18)10-17(16)22-20(24)13-23(11-14-3-1-5-25-14)12-15-4-2-6-26-15/h1-6,9-10H,7-8,11-13H2,(H,22,24)
InChIKeyVUKHUKUTDWEFBZ-UHFFFAOYSA-N
MW447.29 g/mol
LogP4.05
Rot. Bonds7

About 2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (PubChem CID 24568129) has the molecular formula C20H19BrN2O5 and a molecular weight of 447.29 g/mol. Its IUPAC name is 2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.

Molecular Properties

Compound Name2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
PubChem CID24568129
Molecular FormulaC20H19BrN2O5
Molecular Weight447.29 g/mol
Exact Mass446.05
IUPAC Name2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C20H19BrN2O5/c21-16-9-18-19(28-8-7-27-18)10-17(16)22-20(24)13-23(11-14-3-1-5-25-14)12-15-4-2-6-26-15/h1-6,9-10H,7-8,11-13H2,(H,22,24)
InChIKeyVUKHUKUTDWEFBZ-UHFFFAOYSA-N
XLogP4.05
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568125
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565661
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide
CID 6215097
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565572
2-[bis(furan-2-ylmethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8840881
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63085271
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 24566612
2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide
CID 8841188

Frequently Asked Questions

What is the IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (CID 24568129) is 2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
What is the SMILES notation for 2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The canonical SMILES for 2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of 2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The InChIKey is VUKHUKUTDWEFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O5/c21-16-9-18-19(28-8-7-27-18)10-17(16)22-20(24)13-23(11-14-3-1-5-25-14)12-15-4-2-6-26-15/h1-6,9-10H,7-8,11-13H2,(H,22,24).
What are the key properties of 2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide has a molecular weight of 447.29 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is sourced from PubChem (CID 24568129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).