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

C16H11ClN2O4 — CID 7894399

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H11ClN2O4/c17-11-2-1-10(7-18)13(5-11)19-16(20)8-21-12-3-4-14-15(6-12)23-9-22-14/h1-6H,8-9H2,(H,19,20)
InChIKeyNSNMWJHQJXVXTP-UHFFFAOYSA-N
MW330.73 g/mol
LogP2.96
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide (PubChem CID 7894399) has the molecular formula C16H11ClN2O4 and a molecular weight of 330.73 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide
PubChem CID7894399
Molecular FormulaC16H11ClN2O4
Molecular Weight330.73 g/mol
Exact Mass330.04
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H11ClN2O4/c17-11-2-1-10(7-18)13(5-11)19-16(20)8-21-12-3-4-14-15(6-12)23-9-22-14/h1-6H,8-9H2,(H,19,20)
InChIKeyNSNMWJHQJXVXTP-UHFFFAOYSA-N
XLogP2.96
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 17310210
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7894417
N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643107
2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzamide
CID 6493270
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2352785
2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 7894440
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 17310218
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] benzoate
CID 2517138
N-(2-chlorophenyl)-2-(4-cyano-3-fluorophenoxy)acetamide
CID 78952552
N-(2-cyanophenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 26216328

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide (CID 7894399) is 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide is N#Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide?
The InChIKey is NSNMWJHQJXVXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O4/c17-11-2-1-10(7-18)13(5-11)19-16(20)8-21-12-3-4-14-15(6-12)23-9-22-14/h1-6H,8-9H2,(H,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide has a molecular weight of 330.73 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide is sourced from PubChem (CID 7894399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).