4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide

C22H18F2N2O2 — CID 109047887

IUPAC4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(C(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C22H18F2N2O2/c23-18-7-4-8-19(24)20(18)26-22(28)17-11-9-16(10-12-17)21(27)25-14-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyRDBAVSONBHXJDZ-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.19
Rot. Bonds6

About 4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide

4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide (PubChem CID 109047887) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
PubChem CID109047887
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(C(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C22H18F2N2O2/c23-18-7-4-8-19(24)20(18)26-22(28)17-11-9-16(10-12-17)21(27)25-14-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyRDBAVSONBHXJDZ-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
CID 109105081
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
[difluoro-[4-(2-phenylethylcarbamoyl)phenyl]methyl]phosphonic acid
CID 46878793
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide (CID 109047887) is 4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide is O=C(NCCc1ccccc1)c1ccc(C(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide?
The InChIKey is RDBAVSONBHXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c23-18-7-4-8-19(24)20(18)26-22(28)17-11-9-16(10-12-17)21(27)25-14-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide?
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide has a molecular weight of 380.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).