N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide

C23H18ClNO5 — CID 5303197

IUPACN-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2
InChIInChI=1S/C23H18ClNO5/c24-18-9-5-4-8-16(18)23(27)17-12-20-21(29-11-10-28-20)13-19(17)25-22(26)14-30-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2,(H,25,26)
InChIKeyIKUNNTBXGBAHGI-UHFFFAOYSA-N
MW423.85 g/mol
LogP4.36
Rot. Bonds6

About N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide

N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide (PubChem CID 5303197) has the molecular formula C23H18ClNO5 and a molecular weight of 423.85 g/mol. Its IUPAC name is N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide
PubChem CID5303197
Molecular FormulaC23H18ClNO5
Molecular Weight423.85 g/mol
Exact Mass423.09
IUPAC NameN-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2
InChIInChI=1S/C23H18ClNO5/c24-18-9-5-4-8-16(18)23(27)17-12-20-21(29-11-10-28-20)13-19(17)25-22(26)14-30-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2,(H,25,26)
InChIKeyIKUNNTBXGBAHGI-UHFFFAOYSA-N
XLogP4.36
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide
CID 4010326
N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide
CID 5298871
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 39820182
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113050313
7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
CID 9267028
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide
CID 39820178
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide
CID 113036240
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 55467681
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide
CID 110778020
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047377
2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 37229265

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide?
The IUPAC name of N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide (CID 5303197) is N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2.
What is the InChIKey of N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide?
The InChIKey is IKUNNTBXGBAHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO5/c24-18-9-5-4-8-16(18)23(27)17-12-20-21(29-11-10-28-20)13-19(17)25-22(26)14-30-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2,(H,25,26).
What are the key properties of N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide?
N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide has a molecular weight of 423.85 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide is sourced from PubChem (CID 5303197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).