1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide

C24H19F4N3O3 — CID 131841824

IUPAC1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide
SMILESCOCCN1C(=O)c2cc(C(=O)Nc3cc(F)ccc3F)ccc2C1Nc1cc(F)ccc1F
InChIInChI=1S/C24H19F4N3O3/c1-34-9-8-31-22(29-20-11-14(25)3-6-18(20)27)16-5-2-13(10-17(16)24(31)33)23(32)30-21-12-15(26)4-7-19(21)28/h2-7,10-12,22,29H,8-9H2,1H3,(H,30,32)
InChIKeyCRZPQDQOUBEYEV-UHFFFAOYSA-N
MW473.43 g/mol
LogP4.71
Rot. Bonds7

About 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide

1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide (PubChem CID 131841824) has the molecular formula C24H19F4N3O3 and a molecular weight of 473.43 g/mol. Its IUPAC name is 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide
PubChem CID131841824
Molecular FormulaC24H19F4N3O3
Molecular Weight473.43 g/mol
Exact Mass473.14
IUPAC Name1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide
SMILESCOCCN1C(=O)c2cc(C(=O)Nc3cc(F)ccc3F)ccc2C1Nc1cc(F)ccc1F
InChIInChI=1S/C24H19F4N3O3/c1-34-9-8-31-22(29-20-11-14(25)3-6-18(20)27)16-5-2-13(10-17(16)24(31)33)23(32)30-21-12-15(26)4-7-19(21)28/h2-7,10-12,22,29H,8-9H2,1H3,(H,30,32)
InChIKeyCRZPQDQOUBEYEV-UHFFFAOYSA-N
XLogP4.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-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

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide?
The IUPAC name of 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide (CID 131841824) is 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide.
What is the SMILES notation for 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide?
The canonical SMILES for 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide is COCCN1C(=O)c2cc(C(=O)Nc3cc(F)ccc3F)ccc2C1Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide?
The InChIKey is CRZPQDQOUBEYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O3/c1-34-9-8-31-22(29-20-11-14(25)3-6-18(20)27)16-5-2-13(10-17(16)24(31)33)23(32)30-21-12-15(26)4-7-19(21)28/h2-7,10-12,22,29H,8-9H2,1H3,(H,30,32).
What are the key properties of 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide?
1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide has a molecular weight of 473.43 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoroanilino)-N-(2,5-difluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide is sourced from PubChem (CID 131841824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).