N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide

C27H16F2N2O4 — CID 139084495

IUPACN-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1c(O)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C27H16F2N2O4/c28-18-9-5-15(6-10-18)17-13-22(16-7-11-19(29)12-8-16)24(23(32)14-17)25(33)30-31-26(34)20-3-1-2-4-21(20)27(31)35/h1-14,32H,(H,30,33)
InChIKeyUCCNGKXUGUHYEV-UHFFFAOYSA-N
MW470.43 g/mol
LogP4.95
Rot. Bonds4

About N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide

N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide (PubChem CID 139084495) has the molecular formula C27H16F2N2O4 and a molecular weight of 470.43 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide
PubChem CID139084495
Molecular FormulaC27H16F2N2O4
Molecular Weight470.43 g/mol
Exact Mass470.11
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1c(O)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C27H16F2N2O4/c28-18-9-5-15(6-10-18)17-13-22(16-7-11-19(29)12-8-16)24(23(32)14-17)25(33)30-31-26(34)20-3-1-2-4-21(20)27(31)35/h1-14,32H,(H,30,33)
InChIKeyUCCNGKXUGUHYEV-UHFFFAOYSA-N
XLogP4.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 54.95
H-Bond Donors ≤ 52
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 N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide (CID 139084495) is N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide is O=C(NN1C(=O)c2ccccc2C1=O)c1c(O)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide?
The InChIKey is UCCNGKXUGUHYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F2N2O4/c28-18-9-5-15(6-10-18)17-13-22(16-7-11-19(29)12-8-16)24(23(32)14-17)25(33)30-31-26(34)20-3-1-2-4-21(20)27(31)35/h1-14,32H,(H,30,33).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide?
N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide has a molecular weight of 470.43 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide is sourced from PubChem (CID 139084495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).