N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide

C19H22F3N3O3 — CID 51152144

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C19H22F3N3O3/c1-24(2)15-8-7-11(19(20,21)22)9-14(15)23-16(26)10-25-17(27)12-5-3-4-6-13(12)18(25)28/h7-9,12-13H,3-6,10H2,1-2H3,(H,23,26)
InChIKeyVDZASIGYOUXYOE-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.89
Rot. Bonds4

About N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide (PubChem CID 51152144) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
PubChem CID51152144
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C19H22F3N3O3/c1-24(2)15-8-7-11(19(20,21)22)9-14(15)23-16(26)10-25-17(27)12-5-3-4-6-13(12)18(25)28/h7-9,12-13H,3-6,10H2,1-2H3,(H,23,26)
InChIKeyVDZASIGYOUXYOE-UHFFFAOYSA-N
XLogP2.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015166
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30444667
1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea
CID 110890918
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 55924095
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 46644276
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2654454
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2708221
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 43068398
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55522102
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-chlorophenyl)acetamide
CID 2708226
4-chloro-N-[2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]phenyl]benzamide
CID 55677963

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide (CID 51152144) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)C2CCCCC2C1=O.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
The InChIKey is VDZASIGYOUXYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-24(2)15-8-7-11(19(20,21)22)9-14(15)23-16(26)10-25-17(27)12-5-3-4-6-13(12)18(25)28/h7-9,12-13H,3-6,10H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide has a molecular weight of 397.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide is sourced from PubChem (CID 51152144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).