N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide

C17H14ClNO4 — CID 18076767

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cc1ccc(Cl)cc1)OCO2
InChIInChI=1S/C17H14ClNO4/c1-10(20)13-7-15-16(23-9-22-15)8-14(13)19-17(21)6-11-2-4-12(18)5-3-11/h2-5,7-8H,6,9H2,1H3,(H,19,21)
InChIKeyRGIYUEYLPVEFDW-UHFFFAOYSA-N
MW331.75 g/mol
LogP3.45
Rot. Bonds4

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide (PubChem CID 18076767) has the molecular formula C17H14ClNO4 and a molecular weight of 331.75 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide
PubChem CID18076767
Molecular FormulaC17H14ClNO4
Molecular Weight331.75 g/mol
Exact Mass331.06
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cc1ccc(Cl)cc1)OCO2
InChIInChI=1S/C17H14ClNO4/c1-10(20)13-7-15-16(23-9-22-15)8-14(13)19-17(21)6-11-2-4-12(18)5-3-11/h2-5,7-8H,6,9H2,1H3,(H,19,21)
InChIKeyRGIYUEYLPVEFDW-UHFFFAOYSA-N
XLogP3.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(4-chlorophenyl)methyl]-methylazanium
CID 9040849
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide
CID 31483361
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-chloro-2-fluorobenzamide
CID 18089901
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613319
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 34809182
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55927009
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)sulfanylacetamide
CID 7950491
2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41107875
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-benzylsulfanylacetamide
CID 7784900
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8655879
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide
CID 18103899

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide (CID 18076767) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide is CC(=O)c1cc2c(cc1NC(=O)Cc1ccc(Cl)cc1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide?
The InChIKey is RGIYUEYLPVEFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-10(20)13-7-15-16(23-9-22-15)8-14(13)19-17(21)6-11-2-4-12(18)5-3-11/h2-5,7-8H,6,9H2,1H3,(H,19,21).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide has a molecular weight of 331.75 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 18076767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).