2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide

C15H11Cl2NO3 — CID 41107875

IUPAC2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-10-2-3-11(17)12(7-10)18-15(19)6-9-1-4-13-14(5-9)21-8-20-13/h1-5,7H,6,8H2,(H,18,19)
InChIKeyIFIWZZWOLXBBIL-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.90
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 41107875) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
PubChem CID41107875
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-10-2-3-11(17)12(7-10)18-15(19)6-9-1-4-13-14(5-9)21-8-20-13/h1-5,7H,6,8H2,(H,18,19)
InChIKeyIFIWZZWOLXBBIL-UHFFFAOYSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199169
N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107019725
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8745492
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide
CID 18076767
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide
CID 18103899
2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 108998748
3-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109022797
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46508552
1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate
CID 5225250
N-(2,5-dichlorophenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399999
3-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)propanamide
CID 16574876

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide (CID 41107875) is 2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide is O=C(Cc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is IFIWZZWOLXBBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-10-2-3-11(17)12(7-10)18-15(19)6-9-1-4-13-14(5-9)21-8-20-13/h1-5,7H,6,8H2,(H,18,19).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 324.16 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 41107875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).