1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide

C19H21F3N2O4 — CID 55762387

IUPAC1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C19H21F3N2O4/c1-2-7-23(11-19(20,21)22)16(25)12-5-6-14-15(9-12)18(27)24(17(14)26)10-13-4-3-8-28-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3
InChIKeyCCOMFCVAOXQREH-UHFFFAOYSA-N
MW398.38 g/mol
LogP2.88
Rot. Bonds6

About 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide

1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide (PubChem CID 55762387) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide
PubChem CID55762387
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C19H21F3N2O4/c1-2-7-23(11-19(20,21)22)16(25)12-5-6-14-15(9-12)18(27)24(17(14)26)10-13-4-3-8-28-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3
InChIKeyCCOMFCVAOXQREH-UHFFFAOYSA-N
XLogP2.88
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide 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

1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
N-ethyl-N-(4-fluorophenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 51198650
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 60538124
N-methyl-N-[(4-methylphenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 38046584
N-(2-amino-2-methylpropyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119626953
N-[(2-methoxyphenyl)methyl]-1,3-dioxo-N,2-bis(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55968894
N-(3,3-dimethylbutyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55656269
N-[2-(methylamino)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119501013
N-[2-(methylamino)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide;hydrochloride
CID 119501012
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 31443327
N-(cyclobutylmethyl)-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 38656070
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362324

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide (CID 55762387) is 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide is CCCN(CC(F)(F)F)C(=O)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O.
What is the InChIKey of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide?
The InChIKey is CCOMFCVAOXQREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-2-7-23(11-19(20,21)22)16(25)12-5-6-14-15(9-12)18(27)24(17(14)26)10-13-4-3-8-28-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide?
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide is sourced from PubChem (CID 55762387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).