2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide

C30H22N2O3 — CID 2920603

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide
SMILESO=C(NC1c2ccccc2-c2ccccc21)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H22N2O3/c33-28(31-27-22-14-6-4-12-20(22)21-13-5-7-15-23(21)27)26(18-19-10-2-1-3-11-19)32-29(34)24-16-8-9-17-25(24)30(32)35/h1-17,26-27H,18H2,(H,31,33)
InChIKeyVYDPUUMPXMLVIN-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.78
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide (PubChem CID 2920603) has the molecular formula C30H22N2O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide
PubChem CID2920603
Molecular FormulaC30H22N2O3
Molecular Weight458.52 g/mol
Exact Mass458.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide
SMILESO=C(NC1c2ccccc2-c2ccccc21)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H22N2O3/c33-28(31-27-22-14-6-4-12-20(22)21-13-5-7-15-23(21)27)26(18-19-10-2-1-3-11-19)32-29(34)24-16-8-9-17-25(24)30(32)35/h1-17,26-27H,18H2,(H,31,33)
InChIKeyVYDPUUMPXMLVIN-UHFFFAOYSA-N
XLogP4.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide (CID 2920603) is 2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide is O=C(NC1c2ccccc2-c2ccccc21)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide?
The InChIKey is VYDPUUMPXMLVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O3/c33-28(31-27-22-14-6-4-12-20(22)21-13-5-7-15-23(21)27)26(18-19-10-2-1-3-11-19)32-29(34)24-16-8-9-17-25(24)30(32)35/h1-17,26-27H,18H2,(H,31,33).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide has a molecular weight of 458.52 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide is sourced from PubChem (CID 2920603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).