N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide

C22H19NO4 — CID 27761128

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H19NO4/c24-22(23-15-16-10-11-20-21(14-16)26-13-12-25-20)18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,23,24)
InChIKeyIEFRUIVMODWADZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.18
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide (PubChem CID 27761128) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide
PubChem CID27761128
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H19NO4/c24-22(23-15-16-10-11-20-21(14-16)26-13-12-25-20)18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,23,24)
InChIKeyIEFRUIVMODWADZ-UHFFFAOYSA-N
XLogP4.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-phenoxybenzoate
CID 16595936
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498411
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7981672
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
phenyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)carbamate
CID 110780538
2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
CID 17430137
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3,4,5-tetrafluorobenzamide
CID 112794847
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)furan-2-carboxamide
CID 27761113
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenoxyethyl)acetamide
CID 26903201
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide (CID 27761128) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide is O=C(NCc1ccc2c(c1)OCCO2)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide?
The InChIKey is IEFRUIVMODWADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-22(23-15-16-10-11-20-21(14-16)26-13-12-25-20)18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,23,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide has a molecular weight of 361.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide is sourced from PubChem (CID 27761128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).