2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide

C20H6F10N2O2 — CID 89422005

IUPAC2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(-c2c(F)c(F)c(F)c(F)c2F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H6F10N2O2/c21-9-7(10(22)14(26)17(29)13(9)25)5-3(19(31)33)1-2-4(20(32)34)6(5)8-11(23)15(27)18(30)16(28)12(8)24/h1-2H,(H2,31,33)(H2,32,34)
InChIKeyDXINYMLAGRBKNB-UHFFFAOYSA-N
MW496.26 g/mol
LogP4.61
Rot. Bonds4

About 2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide

2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 89422005) has the molecular formula C20H6F10N2O2 and a molecular weight of 496.26 g/mol. Its IUPAC name is 2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide
PubChem CID89422005
Molecular FormulaC20H6F10N2O2
Molecular Weight496.26 g/mol
Exact Mass496.03
IUPAC Name2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(-c2c(F)c(F)c(F)c(F)c2F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H6F10N2O2/c21-9-7(10(22)14(26)17(29)13(9)25)5-3(19(31)33)1-2-4(20(32)34)6(5)8-11(23)15(27)18(30)16(28)12(8)24/h1-2H,(H2,31,33)(H2,32,34)
InChIKeyDXINYMLAGRBKNB-UHFFFAOYSA-N
XLogP4.61
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.26
LogP ≤ 54.61
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide (CID 89422005) is 2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(N)=O)c(-c2c(F)c(F)c(F)c(F)c2F)c1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is DXINYMLAGRBKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H6F10N2O2/c21-9-7(10(22)14(26)17(29)13(9)25)5-3(19(31)33)1-2-4(20(32)34)6(5)8-11(23)15(27)18(30)16(28)12(8)24/h1-2H,(H2,31,33)(H2,32,34).
What are the key properties of 2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide?
2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 496.26 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 89422005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).