2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

C20H19F2N3O3 — CID 55838586

IUPAC2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCC(c1cc(F)ccc1F)N(C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C20H19F2N3O3/c1-11(15-8-12(21)4-7-17(15)22)24(2)10-18(26)23-13-5-6-14-16(9-13)20(28)25(3)19(14)27/h4-9,11H,10H2,1-3H3,(H,23,26)
InChIKeyZAVATLQIRVRSCB-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.82
Rot. Bonds5

About 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 55838586) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID55838586
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCC(c1cc(F)ccc1F)N(C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C20H19F2N3O3/c1-11(15-8-12(21)4-7-17(15)22)24(2)10-18(26)23-13-5-6-14-16(9-13)20(28)25(3)19(14)27/h4-9,11H,10H2,1-3H3,(H,23,26)
InChIKeyZAVATLQIRVRSCB-UHFFFAOYSA-N
XLogP2.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide 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

N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide
CID 60514650
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
CID 60503075
2-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253059
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32744375
1-[2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetyl]imidazolidin-2-one
CID 56815809
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 55838586) is 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is CC(c1cc(F)ccc1F)N(C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is ZAVATLQIRVRSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-11(15-8-12(21)4-7-17(15)22)24(2)10-18(26)23-13-5-6-14-16(9-13)20(28)25(3)19(14)27/h4-9,11H,10H2,1-3H3,(H,23,26).
What are the key properties of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 387.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 55838586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).