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

C20H19ClN2O5 — CID 24568125

IUPAC2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C20H19ClN2O5/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)
InChIKeyJMLYGIOEXLKIJC-UHFFFAOYSA-N
MW402.83 g/mol
LogP3.94
Rot. Bonds7

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

2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (PubChem CID 24568125) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is 2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.

Molecular Properties

Compound Name2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
PubChem CID24568125
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC Name2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C20H19ClN2O5/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)
InChIKeyJMLYGIOEXLKIJC-UHFFFAOYSA-N
XLogP3.94
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568129
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 37229265
methyl 2-[benzyl-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl]amino]acetate
CID 55993999
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide
CID 24566255
2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide
CID 8841188
2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride
CID 119275630
N-[4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 46461915
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide
CID 71943793
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3-dimethylbutanamide
CID 39820085
N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 78821266

Frequently Asked Questions

What is the IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (CID 24568125) is 2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
What is the SMILES notation for 2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The canonical SMILES for 2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The InChIKey is JMLYGIOEXLKIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5/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-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide has a molecular weight of 402.83 g/mol, XLogP of 3.94, 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-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is sourced from PubChem (CID 24568125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).