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

C18H17Cl2N3O4 — CID 24681096

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O4/c1-23(8-11-2-3-12(19)6-14(11)20)9-17(24)22-18(25)21-13-4-5-15-16(7-13)27-10-26-15/h2-7H,8-10H2,1H3,(H2,21,22,24,25)
InChIKeyDXZHKNCKNQUCII-UHFFFAOYSA-N
MW410.26 g/mol
LogP3.50
Rot. Bonds5

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

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide (PubChem CID 24681096) has the molecular formula C18H17Cl2N3O4 and a molecular weight of 410.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
PubChem CID24681096
Molecular FormulaC18H17Cl2N3O4
Molecular Weight410.26 g/mol
Exact Mass409.06
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O4/c1-23(8-11-2-3-12(19)6-14(11)20)9-17(24)22-18(25)21-13-4-5-15-16(7-13)27-10-26-15/h2-7H,8-10H2,1H3,(H2,21,22,24,25)
InChIKeyDXZHKNCKNQUCII-UHFFFAOYSA-N
XLogP3.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24506838
3-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911809
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 18094312
1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea
CID 110372008
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 18127481
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 27218401
N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 4824789
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 4818793
N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
CID 46573614
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 55868228
N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetamide
CID 17412169
N'-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dichlorophenyl)ethyl]propanediamide
CID 108952650

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide (CID 24681096) is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide?
The InChIKey is DXZHKNCKNQUCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4/c1-23(8-11-2-3-12(19)6-14(11)20)9-17(24)22-18(25)21-13-4-5-15-16(7-13)27-10-26-15/h2-7H,8-10H2,1H3,(H2,21,22,24,25).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide has a molecular weight of 410.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 24681096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).