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

C15H11ClFNO4 — CID 7916017

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H11ClFNO4/c16-11-5-9(17)1-3-12(11)20-7-15(19)18-10-2-4-13-14(6-10)22-8-21-13/h1-6H,7-8H2,(H,18,19)
InChIKeyBXXYRFHTENTBMN-UHFFFAOYSA-N
MW323.71 g/mol
LogP3.23
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide (PubChem CID 7916017) has the molecular formula C15H11ClFNO4 and a molecular weight of 323.71 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
PubChem CID7916017
Molecular FormulaC15H11ClFNO4
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H11ClFNO4/c16-11-5-9(17)1-3-12(11)20-7-15(19)18-10-2-4-13-14(6-10)22-8-21-13/h1-6H,7-8H2,(H,18,19)
InChIKeyBXXYRFHTENTBMN-UHFFFAOYSA-N
XLogP3.23
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2223900
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978494
N-(1,3-benzodioxol-5-yl)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]acetamide
CID 110615456
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1264182
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-formylphenoxy)acetamide
CID 7820174
2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4826482
2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32744375
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide (CID 7916017) is N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1Cl)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
The InChIKey is BXXYRFHTENTBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO4/c16-11-5-9(17)1-3-12(11)20-7-15(19)18-10-2-4-13-14(6-10)22-8-21-13/h1-6H,7-8H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide has a molecular weight of 323.71 g/mol, XLogP of 3.23, 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-(2-chloro-4-fluorophenoxy)acetamide is sourced from PubChem (CID 7916017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).