4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

C24H18FN3O4 — CID 25102444

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H18FN3O4/c1-27(14-21(29)26-17-6-4-5-16(25)13-17)22(30)15-9-11-18(12-10-15)28-23(31)19-7-2-3-8-20(19)24(28)32/h2-13H,14H2,1H3,(H,26,29)
InChIKeyYUCYPUSEAJNFMD-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.34
Rot. Bonds5

About 4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 25102444) has the molecular formula C24H18FN3O4 and a molecular weight of 431.42 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID25102444
Molecular FormulaC24H18FN3O4
Molecular Weight431.42 g/mol
Exact Mass431.13
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H18FN3O4/c1-27(14-21(29)26-17-6-4-5-16(25)13-17)22(30)15-9-11-18(12-10-15)28-23(31)19-7-2-3-8-20(19)24(28)32/h2-13H,14H2,1H3,(H,26,29)
InChIKeyYUCYPUSEAJNFMD-UHFFFAOYSA-N
XLogP3.34
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (CID 25102444) is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is YUCYPUSEAJNFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O4/c1-27(14-21(29)26-17-6-4-5-16(25)13-17)22(30)15-9-11-18(12-10-15)28-23(31)19-7-2-3-8-20(19)24(28)32/h2-13H,14H2,1H3,(H,26,29).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 431.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 25102444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).