2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide

C16H14ClNO4 — CID 7894417

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc3c(c2)OCO3)c(Cl)c1
InChIInChI=1S/C16H14ClNO4/c1-10-2-4-13(12(17)6-10)18-16(19)8-20-11-3-5-14-15(7-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyRKUYEBICKRJSEH-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.39
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 7894417) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID7894417
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc3c(c2)OCO3)c(Cl)c1
InChIInChI=1S/C16H14ClNO4/c1-10-2-4-13(12(17)6-10)18-16(19)8-20-11-3-5-14-15(7-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyRKUYEBICKRJSEH-UHFFFAOYSA-N
XLogP3.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 7894440
N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753
N-(2-chloro-4-methylphenyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 7602844
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893677
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 17310210
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
CID 17310220
2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide
CID 7894399
2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzamide
CID 6493270
N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643135
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 55747351
2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone
CID 38114433

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide (CID 7894417) is 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc3c(c2)OCO3)c(Cl)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is RKUYEBICKRJSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-10-2-4-13(12(17)6-10)18-16(19)8-20-11-3-5-14-15(7-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 319.74 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 7894417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).