N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten

C19H24ClF3N3O4W- — CID 165399149

IUPACN-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten
SMILESCN(C=O)C(C=O)CCC(=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1.C[N-]COC.[W]
InChIInChI=1S/C16H16ClF3N2O3.C3H8NO.W/c1-21(9-24)12(8-23)2-3-15(25)22-6-10-4-13(16(18,19)20)14(17)5-11(10)7-22;1-4-3-5-2;/h4-5,8-9,12H,2-3,6-7H2,1H3;3H2,1-2H3;/q;-1;
InChIKeyAQVIWUZTWWBQBF-UHFFFAOYSA-N
MW634.71 g/mol
LogP3.23
Rot. Bonds8

About N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten

N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten (PubChem CID 165399149) has the molecular formula C19H24ClF3N3O4W- and a molecular weight of 634.71 g/mol. Its IUPAC name is N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten.

Molecular Properties

Compound NameN-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten
PubChem CID165399149
Molecular FormulaC19H24ClF3N3O4W-
Molecular Weight634.71 g/mol
Exact Mass634.09
IUPAC NameN-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten
SMILESCN(C=O)C(C=O)CCC(=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1.C[N-]COC.[W]
InChIInChI=1S/C16H16ClF3N2O3.C3H8NO.W/c1-21(9-24)12(8-23)2-3-15(25)22-6-10-4-13(16(18,19)20)14(17)5-11(10)7-22;1-4-3-5-2;/h4-5,8-9,12H,2-3,6-7H2,1H3;3H2,1-2H3;/q;-1;
InChIKeyAQVIWUZTWWBQBF-UHFFFAOYSA-N
XLogP3.23
TPSA81.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.71
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten with MolForge

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

Launch Full Analysis

Related Compounds

4-[6-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-3-oxo-1H-isoindol-2-yl]-5-oxohexanal
CID 117943371
5-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-formamido-N-methyl-5-oxopentanamide
CID 156822864
CID 156822926
CID 156822926
1-[5-Chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one
CID 156822929
5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-formamido-N-methyl-5-oxopentanamide
CID 156822957
CID 156823066
CID 156823066
CID 165399094
CID 165399094
[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-ylidene]-formyl-methylazanium;cyclopropane;N,N-dimethylmethanamine
CID 165399103
[[5-[5-Chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-[formyl(methyl)amino]-5-oxopentanoyl]-methylamino]methyl dihydrogen phosphite
CID 165399119
5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-formylimino-N-[2-(2-methoxyethoxy)ethyl]-N-methyl-5-oxopentanamide;cyclopropane
CID 165399136
1-[5-Chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]ethanone
CID 166705262
[[5-[5-Chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-[formyl(methyl)amino]-5-oxopentanoyl]-methylamino]methyl 2,2-dimethylpropanoate
CID 167224355

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten?
The IUPAC name of N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten (CID 165399149) is N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten.
What is the SMILES notation for N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten?
The canonical SMILES for N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten is CN(C=O)C(C=O)CCC(=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1.C[N-]COC.[W].
What is the InChIKey of N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten?
The InChIKey is AQVIWUZTWWBQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O3.C3H8NO.W/c1-21(9-24)12(8-23)2-3-15(25)22-6-10-4-13(16(18,19)20)14(17)5-11(10)7-22;1-4-3-5-2;/h4-5,8-9,12H,2-3,6-7H2,1H3;3H2,1-2H3;/q;-1;.
What are the key properties of N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten?
N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten has a molecular weight of 634.71 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]-N-methylformamide;methoxymethyl(methyl)azanide;tungsten is sourced from PubChem (CID 165399149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).