2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide

C21H21FN2O3 — CID 84873550

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(C(=O)NCc1ccccc1F)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21FN2O3/c1-3-13(2)18(19(25)23-12-14-8-4-7-11-17(14)22)24-20(26)15-9-5-6-10-16(15)21(24)27/h4-11,13,18H,3,12H2,1-2H3,(H,23,25)
InChIKeyBMRVGXBXZHZSIY-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.15
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide

2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide (PubChem CID 84873550) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
PubChem CID84873550
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(C(=O)NCc1ccccc1F)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21FN2O3/c1-3-13(2)18(19(25)23-12-14-8-4-7-11-17(14)22)24-20(26)15-9-5-6-10-16(15)21(24)27/h4-11,13,18H,3,12H2,1-2H3,(H,23,25)
InChIKeyBMRVGXBXZHZSIY-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide 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

(2,3-difluorophenyl)methyl (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate
CID 55935128
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate
CID 55944497
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid
CID 774771
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 84873355
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate
CID 8942607
2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
CID 18159420
2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide
CID 108735914
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 19176296
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110839448
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 19167687
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8570087

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide (CID 84873550) is 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide is CCC(C)C(C(=O)NCc1ccccc1F)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide?
The InChIKey is BMRVGXBXZHZSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-3-13(2)18(19(25)23-12-14-8-4-7-11-17(14)22)24-20(26)15-9-5-6-10-16(15)21(24)27/h4-11,13,18H,3,12H2,1-2H3,(H,23,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide has a molecular weight of 368.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 84873550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).