2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide

C18H17Cl3N2O3 — CID 9286967

IUPAC2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C18H17Cl3N2O3/c1-23(8-16(24)22-17-14(20)3-2-4-15(17)21)7-11-5-13(19)6-12-9-25-10-26-18(11)12/h2-6H,7-10H2,1H3,(H,22,24)
InChIKeyKIDBOTJZCSESFB-UHFFFAOYSA-N
MW415.70 g/mol
LogP4.58
Rot. Bonds5

About 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide

2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 9286967) has the molecular formula C18H17Cl3N2O3 and a molecular weight of 415.70 g/mol. Its IUPAC name is 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
PubChem CID9286967
Molecular FormulaC18H17Cl3N2O3
Molecular Weight415.70 g/mol
Exact Mass414.03
IUPAC Name2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C18H17Cl3N2O3/c1-23(8-16(24)22-17-14(20)3-2-4-15(17)21)7-11-5-13(19)6-12-9-25-10-26-18(11)12/h2-6H,7-10H2,1H3,(H,22,24)
InChIKeyKIDBOTJZCSESFB-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8791765
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]propan-2-ol
CID 62333763
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633
N-(3-methoxyphenyl)-2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]acetamide
CID 8555182
2-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55351320
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26308531
N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride
CID 120847429
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821
N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 27253817

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide (CID 9286967) is 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(Cl)cc2c1OCOC2.
What is the InChIKey of 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is KIDBOTJZCSESFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O3/c1-23(8-16(24)22-17-14(20)3-2-4-15(17)21)7-11-5-13(19)6-12-9-25-10-26-18(11)12/h2-6H,7-10H2,1H3,(H,22,24).
What are the key properties of 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 415.70 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 9286967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).