N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide

C26H21FN2O5 — CID 17361913

IUPACN-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide
SMILESO=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1)c1ccccc1F
InChIInChI=1S/C26H21FN2O5/c27-23-9-2-1-8-21(23)24(30)28-16-5-3-6-17(13-16)34-18-10-11-20-22(14-18)26(32)29(25(20)31)15-19-7-4-12-33-19/h1-3,5-6,8-11,13-14,19H,4,7,12,15H2,(H,28,30)
InChIKeyQTIKTEQZHDSQBY-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.65
Rot. Bonds6

About N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide

N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide (PubChem CID 17361913) has the molecular formula C26H21FN2O5 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide
PubChem CID17361913
Molecular FormulaC26H21FN2O5
Molecular Weight460.46 g/mol
Exact Mass460.14
IUPAC NameN-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide
SMILESO=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1)c1ccccc1F
InChIInChI=1S/C26H21FN2O5/c27-23-9-2-1-8-21(23)24(30)28-16-5-3-6-17(13-16)34-18-10-11-20-22(14-18)26(32)29(25(20)31)15-19-7-4-12-33-19/h1-3,5-6,8-11,13-14,19H,4,7,12,15H2,(H,28,30)
InChIKeyQTIKTEQZHDSQBY-UHFFFAOYSA-N
XLogP4.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide 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-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide
CID 17361930
3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362062
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362050
N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-methoxybenzamide
CID 17362416
N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-iodobenzamide
CID 17362402
2-(4-chlorophenyl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]acetamide
CID 17361940
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide
CID 17362007
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
5-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxy-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 1231025
2-(3,4-dimethylphenoxy)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362136
2-(2,4-dichlorophenoxy)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]acetamide
CID 17362023
[3-[[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]carbamoyl]phenyl] propanoate
CID 17362437

Frequently Asked Questions

What is the IUPAC name of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide (CID 17361913) is N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide is O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1)c1ccccc1F.
What is the InChIKey of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide?
The InChIKey is QTIKTEQZHDSQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O5/c27-23-9-2-1-8-21(23)24(30)28-16-5-3-6-17(13-16)34-18-10-11-20-22(14-18)26(32)29(25(20)31)15-19-7-4-12-33-19/h1-3,5-6,8-11,13-14,19H,4,7,12,15H2,(H,28,30).
What are the key properties of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide?
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide has a molecular weight of 460.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide is sourced from PubChem (CID 17361913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).