N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide

C23H19FN2O4 — CID 46647679

IUPACN-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C23H19FN2O4/c1-14(15-5-8-17(24)9-6-15)25(2)21(27)16-7-10-19-20(12-16)23(29)26(22(19)28)13-18-4-3-11-30-18/h3-12,14H,13H2,1-2H3
InChIKeyVTTUEMNZIXJLLT-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.05
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide

N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 46647679) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID46647679
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C23H19FN2O4/c1-14(15-5-8-17(24)9-6-15)25(2)21(27)16-7-10-19-20(12-16)23(29)26(22(19)28)13-18-4-3-11-30-18/h3-12,14H,13H2,1-2H3
InChIKeyVTTUEMNZIXJLLT-UHFFFAOYSA-N
XLogP4.05
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-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

2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 27810224
N-(2,2-dimethylpropyl)-2-(furan-2-ylmethyl)-1,3-dioxo-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide
CID 56531073
N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 31987257
1-phenylethyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 16511063
(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738814
3-(4-fluorophenoxy)propyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 31198516
[4-(4-fluorophenyl)-4-oxobutyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2490940
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 42905011
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 16511124
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]isoindole-5-carboxamide
CID 51578753
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide (CID 46647679) is N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is VTTUEMNZIXJLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-14(15-5-8-17(24)9-6-15)25(2)21(27)16-7-10-19-20(12-16)23(29)26(22(19)28)13-18-4-3-11-30-18/h3-12,14H,13H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 46647679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).