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

C14H11ClN2O4 — CID 6461641

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN2O4/c15-9-1-4-13(16-6-9)17-14(18)7-19-10-2-3-11-12(5-10)21-8-20-11/h1-6H,7-8H2,(H,16,17,18)
InChIKeyNAXUWCJFNWEVJJ-UHFFFAOYSA-N
MW306.70 g/mol
LogP2.48
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 6461641) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID6461641
Molecular FormulaC14H11ClN2O4
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN2O4/c15-9-1-4-13(16-6-9)17-14(18)7-19-10-2-3-11-12(5-10)21-8-20-11/h1-6H,7-8H2,(H,16,17,18)
InChIKeyNAXUWCJFNWEVJJ-UHFFFAOYSA-N
XLogP2.48
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropyridin-2-yl)-2-phenoxyacetamide
CID 738246
N-(5-chloropyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3155499
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 2129011
2-(4-chlorophenoxy)-N-(5-chloropyridin-2-yl)acetamide
CID 646465
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
CID 2109809
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 2376140
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (3-chloro-pyridin-2-yl)-amide
CID 9549509
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 17550691
[2-[(3,5-Dichloropyridin-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 2381183
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 16290799
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 16507495
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 2112324

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide (CID 6461641) is 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide is O=C(COc1ccc2c(c1)OCO2)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is NAXUWCJFNWEVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-9-1-4-13(16-6-9)17-14(18)7-19-10-2-3-11-12(5-10)21-8-20-11/h1-6H,7-8H2,(H,16,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 306.70 g/mol, XLogP of 2.48, 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-pyridinyl)acetamide is sourced from PubChem (CID 6461641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).