2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide

C24H20F4N2O2 — CID 1109048

IUPAC2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1c(F)c(F)c(F)c(C(=O)NCCc2ccccc2)c1F
InChIInChI=1S/C24H20F4N2O2/c25-19-17(23(31)29-13-11-15-7-3-1-4-8-15)20(26)22(28)21(27)18(19)24(32)30-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,29,31)(H,30,32)
InChIKeyINUKOLCPZBLUMX-UHFFFAOYSA-N
MW444.43 g/mol
LogP4.19
Rot. Bonds8

About 2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide

2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 1109048) has the molecular formula C24H20F4N2O2 and a molecular weight of 444.43 g/mol. Its IUPAC name is 2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID1109048
Molecular FormulaC24H20F4N2O2
Molecular Weight444.43 g/mol
Exact Mass444.15
IUPAC Name2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1c(F)c(F)c(F)c(C(=O)NCCc2ccccc2)c1F
InChIInChI=1S/C24H20F4N2O2/c25-19-17(23(31)29-13-11-15-7-3-1-4-8-15)20(26)22(28)21(27)18(19)24(32)30-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,29,31)(H,30,32)
InChIKeyINUKOLCPZBLUMX-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 54.19
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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Related Compounds

1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,3,6-trichloro-N-(2-phenylethyl)benzamide
CID 19171105
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 60541307
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047887
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
2-phenylethylcarbamothioic S-acid
CID 11116669

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide (CID 1109048) is 2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide is O=C(NCCc1ccccc1)c1c(F)c(F)c(F)c(C(=O)NCCc2ccccc2)c1F.
What is the InChIKey of 2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is INUKOLCPZBLUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O2/c25-19-17(23(31)29-13-11-15-7-3-1-4-8-15)20(26)22(28)21(27)18(19)24(32)30-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,29,31)(H,30,32).
What are the key properties of 2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide?
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 444.43 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 1109048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).