N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane

C22H18F3N3O5 — CID 159040343

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane
SMILESC.O=C1CCC(N2C(=O)c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3C2=O)C(=O)N1
InChIInChI=1S/C21H14F3N3O5.CH4/c22-21(23,24)12-6-2-1-4-10(12)17(29)25-13-7-3-5-11-16(13)20(32)27(19(11)31)14-8-9-15(28)26-18(14)30;/h1-7,14H,8-9H2,(H,25,29)(H,26,28,30);1H4
InChIKeyJVYYARZYICWUML-UHFFFAOYSA-N
MW461.40 g/mol
LogP2.99
Rot. Bonds3

About N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane (PubChem CID 159040343) has the molecular formula C22H18F3N3O5 and a molecular weight of 461.40 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane
PubChem CID159040343
Molecular FormulaC22H18F3N3O5
Molecular Weight461.40 g/mol
Exact Mass461.12
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane
SMILESC.O=C1CCC(N2C(=O)c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3C2=O)C(=O)N1
InChIInChI=1S/C21H14F3N3O5.CH4/c22-21(23,24)12-6-2-1-4-10(12)17(29)25-13-7-3-5-11-16(13)20(32)27(19(11)31)14-8-9-15(28)26-18(14)30;/h1-7,14H,8-9H2,(H,25,29)(H,26,28,30);1H4
InChIKeyJVYYARZYICWUML-UHFFFAOYSA-N
XLogP2.99
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide
CID 142156250
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;sulfane
CID 157200020
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide
CID 155292086
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-hydroxypentanamide
CID 155292111
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate
CID 10134792
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-hydroxyhexanamide
CID 155292112
4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 139184599
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749
4-(cyclopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153358702
2-(2-chloroethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139466001
4-(4-aminobutylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 146014469

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane (CID 159040343) is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane is C.O=C1CCC(N2C(=O)c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane?
The InChIKey is JVYYARZYICWUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O5.CH4/c22-21(23,24)12-6-2-1-4-10(12)17(29)25-13-7-3-5-11-16(13)20(32)27(19(11)31)14-8-9-15(28)26-18(14)30;/h1-7,14H,8-9H2,(H,25,29)(H,26,28,30);1H4.
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane?
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane has a molecular weight of 461.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane is sourced from PubChem (CID 159040343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).