N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide

C22H24ClNO5 — CID 24658110

IUPACN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1OCC1CCCO1
InChIInChI=1S/C22H24ClNO5/c23-18-12-15(13-20-21(18)28-11-10-27-20)7-8-24-22(25)17-5-1-2-6-19(17)29-14-16-4-3-9-26-16/h1-2,5-6,12-13,16H,3-4,7-11,14H2,(H,24,25)
InChIKeyQZSGXSAVYPCWID-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.64
Rot. Bonds7

About N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 24658110) has the molecular formula C22H24ClNO5 and a molecular weight of 417.89 g/mol. Its IUPAC name is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID24658110
Molecular FormulaC22H24ClNO5
Molecular Weight417.89 g/mol
Exact Mass417.13
IUPAC NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1OCC1CCCO1
InChIInChI=1S/C22H24ClNO5/c23-18-12-15(13-20-21(18)28-11-10-27-20)7-8-24-22(25)17-5-1-2-6-19(17)29-14-16-4-3-9-26-16/h1-2,5-6,12-13,16H,3-4,7-11,14H2,(H,24,25)
InChIKeyQZSGXSAVYPCWID-UHFFFAOYSA-N
XLogP3.64
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 112803371
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzamide
CID 18126425
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
CID 46977867
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 24655170
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 43034954
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55759344
2,4-dichloro-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-fluorobenzamide
CID 24564127
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328
2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
CID 125150340
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide (CID 24658110) is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide is O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1OCC1CCCO1.
What is the InChIKey of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is QZSGXSAVYPCWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO5/c23-18-12-15(13-20-21(18)28-11-10-27-20)7-8-24-22(25)17-5-1-2-6-19(17)29-14-16-4-3-9-26-16/h1-2,5-6,12-13,16H,3-4,7-11,14H2,(H,24,25).
What are the key properties of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide?
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 417.89 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 24658110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).