1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide

C36H28F4N2O2 — CID 3094070

IUPAC1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide
SMILESO=C(c1c(F)c(F)c(F)c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C36H28F4N2O2/c37-31-29(35(43)41(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)32(38)34(40)33(39)30(31)36(44)42(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyZAVLSQCKAWRYID-UHFFFAOYSA-N
MW596.62 g/mol
LogP7.93
Rot. Bonds10

About 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide

1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide (PubChem CID 3094070) has the molecular formula C36H28F4N2O2 and a molecular weight of 596.62 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide
PubChem CID3094070
Molecular FormulaC36H28F4N2O2
Molecular Weight596.62 g/mol
Exact Mass596.21
IUPAC Name1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide
SMILESO=C(c1c(F)c(F)c(F)c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C36H28F4N2O2/c37-31-29(35(43)41(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)32(38)34(40)33(39)30(31)36(44)42(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyZAVLSQCKAWRYID-UHFFFAOYSA-N
XLogP7.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.62
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide (CID 3094070) is 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide is O=C(c1c(F)c(F)c(F)c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide?
The InChIKey is ZAVLSQCKAWRYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28F4N2O2/c37-31-29(35(43)41(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)32(38)34(40)33(39)30(31)36(44)42(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide?
1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide has a molecular weight of 596.62 g/mol, XLogP of 7.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide is sourced from PubChem (CID 3094070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).