N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C20H17F3N2O3 — CID 30860521

IUPACN-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C20H17F3N2O3/c1-12-3-8-15-16(9-12)19(28)25(18(15)27)11-17(26)24(2)10-13-4-6-14(7-5-13)20(21,22)23/h3-9H,10-11H2,1-2H3
InChIKeyDWWVOBKCNHOXFE-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.27
Rot. Bonds4

About N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 30860521) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID30860521
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC NameN-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C20H17F3N2O3/c1-12-3-8-15-16(9-12)19(28)25(18(15)27)11-17(26)24(2)10-13-4-6-14(7-5-13)20(21,22)23/h3-9H,10-11H2,1-2H3
InChIKeyDWWVOBKCNHOXFE-UHFFFAOYSA-N
XLogP3.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 30860521) is N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is Cc1ccc2c(c1)C(=O)N(CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)C2=O.
What is the InChIKey of N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is DWWVOBKCNHOXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-12-3-8-15-16(9-12)19(28)25(18(15)27)11-17(26)24(2)10-13-4-6-14(7-5-13)20(21,22)23/h3-9H,10-11H2,1-2H3.
What are the key properties of N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 390.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 30860521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).