2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide

C21H24Cl2N2O3 — CID 60598859

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C21H24Cl2N2O3/c1-24(2)6-7-25(14-15-4-3-5-17(22)10-15)20(26)13-16-11-18(23)21-19(12-16)27-8-9-28-21/h3-5,10-12H,6-9,13-14H2,1-2H3
InChIKeyBIEPVMCFXSCUSF-UHFFFAOYSA-N
MW423.34 g/mol
LogP3.90
Rot. Bonds7

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 60598859) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID60598859
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C21H24Cl2N2O3/c1-24(2)6-7-25(14-15-4-3-5-17(22)10-15)20(26)13-16-11-18(23)21-19(12-16)27-8-9-28-21/h3-5,10-12H,6-9,13-14H2,1-2H3
InChIKeyBIEPVMCFXSCUSF-UHFFFAOYSA-N
XLogP3.90
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 24524666
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-bis(2-cyanoethyl)acetamide
CID 51095530
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-bis(prop-2-enyl)acetamide
CID 134031517
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 18114714
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 51130616
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752851
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 31947654
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 39861213
4-[[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 17443282
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide
CID 78867495
N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-methylpent-2-enamide
CID 72687545

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide (CID 60598859) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is BIEPVMCFXSCUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-24(2)6-7-25(14-15-4-3-5-17(22)10-15)20(26)13-16-11-18(23)21-19(12-16)27-8-9-28-21/h3-5,10-12H,6-9,13-14H2,1-2H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 423.34 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 60598859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).