N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide

C18H18Cl2N2O3 — CID 46573614

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H18Cl2N2O3/c1-11(14-5-3-12(19)7-15(14)20)22(2)9-18(23)21-13-4-6-16-17(8-13)25-10-24-16/h3-8,11H,9-10H2,1-2H3,(H,21,23)
InChIKeyHLUJBCJDAASVOI-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.35
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide (PubChem CID 46573614) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
PubChem CID46573614
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H18Cl2N2O3/c1-11(14-5-3-12(19)7-15(14)20)22(2)9-18(23)21-13-4-6-16-17(8-13)25-10-24-16/h3-8,11H,9-10H2,1-2H3,(H,21,23)
InChIKeyHLUJBCJDAASVOI-UHFFFAOYSA-N
XLogP4.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide
CID 42891727
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 2608978
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 24681096
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide
CID 60514650
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1148607
N'-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dichlorophenyl)ethyl]propanediamide
CID 108952650
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9330762
N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
CID 47023383
(2S)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049649
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide (CID 46573614) is N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide is CC(c1ccc(Cl)cc1Cl)N(C)CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide?
The InChIKey is HLUJBCJDAASVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-11(14-5-3-12(19)7-15(14)20)22(2)9-18(23)21-13-4-6-16-17(8-13)25-10-24-16/h3-8,11H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide has a molecular weight of 381.26 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 46573614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).