N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide

C22H17F2N3O6 — CID 174550509

IUPACN-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOc1c(C(=O)NC(=O)c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3)ccc(F)c1F
InChIInChI=1S/C22H17F2N3O6/c1-33-18-12(5-6-13(23)17(18)24)20(30)26-19(29)11-4-2-3-10-9-27(22(32)16(10)11)14-7-8-15(28)25-21(14)31/h2-6,14H,7-9H2,1H3,(H,25,28,31)(H,26,29,30)
InChIKeyGMYFJVAMKVYYNQ-UHFFFAOYSA-N
MW457.39 g/mol
LogP1.30
Rot. Bonds4

About N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide

N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 174550509) has the molecular formula C22H17F2N3O6 and a molecular weight of 457.39 g/mol. Its IUPAC name is N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID174550509
Molecular FormulaC22H17F2N3O6
Molecular Weight457.39 g/mol
Exact Mass457.11
IUPAC NameN-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOc1c(C(=O)NC(=O)c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3)ccc(F)c1F
InChIInChI=1S/C22H17F2N3O6/c1-33-18-12(5-6-13(23)17(18)24)20(30)26-19(29)11-4-2-3-10-9-27(22(32)16(10)11)14-7-8-15(28)25-21(14)31/h2-6,14H,7-9H2,1H3,(H,25,28,31)(H,26,29,30)
InChIKeyGMYFJVAMKVYYNQ-UHFFFAOYSA-N
XLogP1.30
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-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-(2,6-dioxopiperidin-3-yl)-4-methoxy-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342404
2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 178002255
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342511
N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
CID 67230176
3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342225
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
2-(2,5-dioxopyrrolidin-3-yl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 167737443
3-[4-(4-methylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155177575
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium
CID 163510675
2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid
CID 167342551
3-[4-[[[3-(methoxymethyl)azetidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736092
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-fluorobenzamide
CID 154810838

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide (CID 174550509) is N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide is COc1c(C(=O)NC(=O)c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3)ccc(F)c1F.
What is the InChIKey of N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is GMYFJVAMKVYYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O6/c1-33-18-12(5-6-13(23)17(18)24)20(30)26-19(29)11-4-2-3-10-9-27(22(32)16(10)11)14-7-8-15(28)25-21(14)31/h2-6,14H,7-9H2,1H3,(H,25,28,31)(H,26,29,30).
What are the key properties of N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 457.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 174550509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).