2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

C23H19NO4 — CID 110823946

IUPAC2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILESO=C(CNc1cccc(C(=O)c2ccccc2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H19NO4/c25-20(17-9-10-21-22(14-17)28-12-11-27-21)15-24-19-8-4-7-18(13-19)23(26)16-5-2-1-3-6-16/h1-10,13-14,24H,11-12,15H2
InChIKeyWUHZZIRWBAPTGJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.98
Rot. Bonds6

About 2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (PubChem CID 110823946) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.

Molecular Properties

Compound Name2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
PubChem CID110823946
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILESO=C(CNc1cccc(C(=O)c2ccccc2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H19NO4/c25-20(17-9-10-21-22(14-17)28-12-11-27-21)15-24-19-8-4-7-18(13-19)23(26)16-5-2-1-3-6-16/h1-10,13-14,24H,11-12,15H2
InChIKeyWUHZZIRWBAPTGJ-UHFFFAOYSA-N
XLogP3.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone
CID 110823607
2-anilino-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 116555381
N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617026
2-(3-benzoylanilino)-1-(4-nitrophenyl)ethanone
CID 110824996
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203763
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoic acid
CID 116917934
[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
2-(tert-butylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 82101698
2-(3-chloro-4-methoxyanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110823924
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
1,3-benzodioxol-5-yl-[3-(methylamino)phenyl]methanone
CID 116917301
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]acetamide
CID 82116531

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The IUPAC name of 2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (CID 110823946) is 2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.
What is the SMILES notation for 2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The canonical SMILES for 2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is O=C(CNc1cccc(C(=O)c2ccccc2)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The InChIKey is WUHZZIRWBAPTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-20(17-9-10-21-22(14-17)28-12-11-27-21)15-24-19-8-4-7-18(13-19)23(26)16-5-2-1-3-6-16/h1-10,13-14,24H,11-12,15H2.
What are the key properties of 2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone has a molecular weight of 373.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is sourced from PubChem (CID 110823946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).