N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide

C10H6Cl2F3NO3 — CID 680723

IUPACN-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C10H6Cl2F3NO3/c1-4(17)16-10(9(13,14)15)18-7-2-5(11)6(12)3-8(7)19-10/h2-3H,1H3,(H,16,17)
InChIKeyDINRFCNWBCALCE-UHFFFAOYSA-N
MW316.06 g/mol
LogP3.12
Rot. Bonds1

About N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide

N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide (PubChem CID 680723) has the molecular formula C10H6Cl2F3NO3 and a molecular weight of 316.06 g/mol. Its IUPAC name is N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide
PubChem CID680723
Molecular FormulaC10H6Cl2F3NO3
Molecular Weight316.06 g/mol
Exact Mass314.97
IUPAC NameN-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C10H6Cl2F3NO3/c1-4(17)16-10(9(13,14)15)18-7-2-5(11)6(12)3-8(7)19-10/h2-3H,1H3,(H,16,17)
InChIKeyDINRFCNWBCALCE-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.06
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide?
The IUPAC name of N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide (CID 680723) is N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide.
What is the SMILES notation for N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide?
The canonical SMILES for N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide is CC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1.
What is the InChIKey of N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide?
The InChIKey is DINRFCNWBCALCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3NO3/c1-4(17)16-10(9(13,14)15)18-7-2-5(11)6(12)3-8(7)19-10/h2-3H,1H3,(H,16,17).
What are the key properties of N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide?
N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide has a molecular weight of 316.06 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide is sourced from PubChem (CID 680723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).