N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide

C15H12ClNO4 — CID 836014

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12ClNO4/c16-10-1-4-12(5-2-10)19-8-15(18)17-11-3-6-13-14(7-11)21-9-20-13/h1-7H,8-9H2,(H,17,18)
InChIKeyXUBPVYAHGBKWHD-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.09
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide (PubChem CID 836014) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide
PubChem CID836014
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12ClNO4/c16-10-1-4-12(5-2-10)19-8-15(18)17-11-3-6-13-14(7-11)21-9-20-13/h1-7H,8-9H2,(H,17,18)
InChIKeyXUBPVYAHGBKWHD-UHFFFAOYSA-N
XLogP3.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 835559
N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide
CID 837107
N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenoxy)acetamide
CID 870495
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 2086142
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] propanoate
CID 2357786
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] butanoate
CID 2428735
N-1,3-benzodioxol-5-yl-2-(2-nitrophenoxy)acetamide
CID 2500564
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555468
1-(1,3-Benzodioxol-5-yl)-3-(4-chlorophenyl)urea
CID 4195203
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8108481
N-(1,3-Benzodioxol-5-YL)-N'-(3-chlorophenyl)urea
CID 897033
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (2,2-dimethyl-benzo[1,3]dioxol-5-yl)-amide
CID 650457

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide (CID 836014) is N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is XUBPVYAHGBKWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-10-1-4-12(5-2-10)19-8-15(18)17-11-3-6-13-14(7-11)21-9-20-13/h1-7H,8-9H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 305.72 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 836014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).