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

C20H20ClNO4 — CID 5298871

IUPACN-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2
InChIInChI=1S/C20H20ClNO4/c1-20(2,3)19(24)22-15-11-17-16(25-8-9-26-17)10-13(15)18(23)12-6-4-5-7-14(12)21/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)
InChIKeyORBDDHZLPXHMHV-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.33
Rot. Bonds3

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

N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide (PubChem CID 5298871) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide
PubChem CID5298871
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC NameN-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2
InChIInChI=1S/C20H20ClNO4/c1-20(2,3)19(24)22-15-11-17-16(25-8-9-26-17)10-13(15)18(23)12-6-4-5-7-14(12)21/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)
InChIKeyORBDDHZLPXHMHV-UHFFFAOYSA-N
XLogP4.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-phenoxyacetamide
CID 5303197
(2-chlorophenyl)-[6-(2,3-dihydroxypropylamino)-2,3-dihydro-1,4-benzodioxin-7-yl]methanone
CID 168595543
2,2-dimethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110777998
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide
CID 43548135
N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 113197955
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-2-methylpropanamide
CID 60531587
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzamide
CID 3286357
2-bromo-N-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 5303872
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096141
1-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-chlorophenyl)urea
CID 7333467

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide (CID 5298871) is N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2.
What is the InChIKey of N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide?
The InChIKey is ORBDDHZLPXHMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-20(2,3)19(24)22-15-11-17-16(25-8-9-26-17)10-13(15)18(23)12-6-4-5-7-14(12)21/h4-7,10-11H,8-9H2,1-3H3,(H,22,24).
What are the key properties of N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide?
N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide has a molecular weight of 373.84 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 5298871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).