1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide

C24H21F2N3O3 — CID 46255676

IUPAC1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide
SMILESCOCCN1C(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C1Nc1ccccc1F
InChIInChI=1S/C24H21F2N3O3/c1-32-13-12-29-22(27-20-8-4-2-6-18(20)25)16-11-10-15(14-17(16)24(29)31)23(30)28-21-9-5-3-7-19(21)26/h2-11,14,22,27H,12-13H2,1H3,(H,28,30)
InChIKeyFKCVLKGXBWRMTF-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.43
Rot. Bonds7

About 1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide

1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide (PubChem CID 46255676) has the molecular formula C24H21F2N3O3 and a molecular weight of 437.45 g/mol. Its IUPAC name is 1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide
PubChem CID46255676
Molecular FormulaC24H21F2N3O3
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide
SMILESCOCCN1C(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C1Nc1ccccc1F
InChIInChI=1S/C24H21F2N3O3/c1-32-13-12-29-22(27-20-8-4-2-6-18(20)25)16-11-10-15(14-17(16)24(29)31)23(30)28-21-9-5-3-7-19(21)26/h2-11,14,22,27H,12-13H2,1H3,(H,28,30)
InChIKeyFKCVLKGXBWRMTF-UHFFFAOYSA-N
XLogP4.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide?
The IUPAC name of 1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide (CID 46255676) is 1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide.
What is the SMILES notation for 1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide?
The canonical SMILES for 1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide is COCCN1C(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C1Nc1ccccc1F.
What is the InChIKey of 1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide?
The InChIKey is FKCVLKGXBWRMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O3/c1-32-13-12-29-22(27-20-8-4-2-6-18(20)25)16-11-10-15(14-17(16)24(29)31)23(30)28-21-9-5-3-7-19(21)26/h2-11,14,22,27H,12-13H2,1H3,(H,28,30).
What are the key properties of 1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide?
1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide is sourced from PubChem (CID 46255676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).