N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide

C18H17Cl3N2O3 — CID 24566255

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc2c(cc1Cl)OCCO2)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C18H17Cl3N2O3/c1-23(9-11-3-2-4-12(19)18(11)21)10-17(24)22-14-8-16-15(7-13(14)20)25-5-6-26-16/h2-4,7-8H,5-6,9-10H2,1H3,(H,22,24)
InChIKeyQOIUJBSXNJQHCO-UHFFFAOYSA-N
MW415.70 g/mol
LogP4.49
Rot. Bonds5

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide (PubChem CID 24566255) has the molecular formula C18H17Cl3N2O3 and a molecular weight of 415.70 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide
PubChem CID24566255
Molecular FormulaC18H17Cl3N2O3
Molecular Weight415.70 g/mol
Exact Mass414.03
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc2c(cc1Cl)OCCO2)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C18H17Cl3N2O3/c1-23(9-11-3-2-4-12(19)18(11)21)10-17(24)22-14-8-16-15(7-13(14)20)25-5-6-26-16/h2-4,7-8H,5-6,9-10H2,1H3,(H,22,24)
InChIKeyQOIUJBSXNJQHCO-UHFFFAOYSA-N
XLogP4.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.70
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide with MolForge

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Related Compounds

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565661
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[3-(3-chlorophenoxy)propyl-methylamino]acetamide
CID 60507253
2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568125
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 18121971
2-[butyl(methyl)amino]-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 41335427
N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 24587420
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3-dimethylbutanamide
CID 39820085
2-[[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 9039473
N-(2,3-dichlorophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 38877263
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide (CID 24566255) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1cc2c(cc1Cl)OCCO2)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide?
The InChIKey is QOIUJBSXNJQHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O3/c1-23(9-11-3-2-4-12(19)18(11)21)10-17(24)22-14-8-16-15(7-13(14)20)25-5-6-26-16/h2-4,7-8H,5-6,9-10H2,1H3,(H,22,24).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide has a molecular weight of 415.70 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 24566255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).