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

C15H9Cl2F2NO4 — CID 7751375

IUPAC2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C15H9Cl2F2NO4/c16-10-3-2-9(6-11(10)17)22-7-14(21)20-8-1-4-12-13(5-8)24-15(18,19)23-12/h1-6H,7H2,(H,20,21)
InChIKeyWHJCCNBINKCQOD-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.33
Rot. Bonds4

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

2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (PubChem CID 7751375) has the molecular formula C15H9Cl2F2NO4 and a molecular weight of 376.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
PubChem CID7751375
Molecular FormulaC15H9Cl2F2NO4
Molecular Weight376.14 g/mol
Exact Mass374.99
IUPAC Name2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C15H9Cl2F2NO4/c16-10-3-2-9(6-11(10)17)22-7-14(21)20-8-1-4-12-13(5-8)24-15(18,19)23-12/h1-6H,7H2,(H,20,21)
InChIKeyWHJCCNBINKCQOD-UHFFFAOYSA-N
XLogP4.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-fluorophenoxy)acetamide
CID 7817876
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273738
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide
CID 7860183
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-[(3S)-4-[[2-(3,4-dichlorophenoxy)acetyl]amino]-3-hydroxybutyl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CID 155264658
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] benzoate
CID 7868398
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 5008005
N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 112827932
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] but-2-enoate
CID 3886925
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8610417

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (CID 7751375) is 2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is WHJCCNBINKCQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2NO4/c16-10-3-2-9(6-11(10)17)22-7-14(21)20-8-1-4-12-13(5-8)24-15(18,19)23-12/h1-6H,7H2,(H,20,21).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 376.14 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 7751375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).