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

C20H15Cl2F3N2O5 — CID 4831951

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C20H15Cl2F3N2O5/c1-31-4-5-32-16-3-2-10(20(23,24)25)6-15(16)26-17(28)9-27-18(29)11-7-13(21)14(22)8-12(11)19(27)30/h2-3,6-8H,4-5,9H2,1H3,(H,26,28)
InChIKeyYQVAFWCKNIINEV-UHFFFAOYSA-N
MW491.25 g/mol
LogP4.27
Rot. Bonds7

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

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 4831951) has the molecular formula C20H15Cl2F3N2O5 and a molecular weight of 491.25 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID4831951
Molecular FormulaC20H15Cl2F3N2O5
Molecular Weight491.25 g/mol
Exact Mass490.03
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C20H15Cl2F3N2O5/c1-31-4-5-32-16-3-2-10(20(23,24)25)6-15(16)26-17(28)9-27-18(29)11-7-13(21)14(22)8-12(11)19(27)30/h2-3,6-8H,4-5,9H2,1H3,(H,26,28)
InChIKeyYQVAFWCKNIINEV-UHFFFAOYSA-N
XLogP4.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
CID 29456589
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 16549692
2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16549697
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 49183275
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574118
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
3-(4-fluorophenyl)sulfanyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
CID 112765270

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide (CID 4831951) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YQVAFWCKNIINEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F3N2O5/c1-31-4-5-32-16-3-2-10(20(23,24)25)6-15(16)26-17(28)9-27-18(29)11-7-13(21)14(22)8-12(11)19(27)30/h2-3,6-8H,4-5,9H2,1H3,(H,26,28).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 491.25 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4831951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).