4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide

C23H21FN2O2 — CID 109049826

IUPAC4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C23H21FN2O2/c1-15(2)16-10-12-20(13-11-16)25-22(27)17-6-8-18(9-7-17)23(28)26-21-5-3-4-19(24)14-21/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyOIOIBYREYYEUJG-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.45
Rot. Bonds5

About 4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide

4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049826) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049826
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C23H21FN2O2/c1-15(2)16-10-12-20(13-11-16)25-22(27)17-6-8-18(9-7-17)23(28)26-21-5-3-4-19(24)14-21/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyOIOIBYREYYEUJG-UHFFFAOYSA-N
XLogP5.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide (CID 109049826) is 4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide is CC(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1.
What is the InChIKey of 4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is OIOIBYREYYEUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-15(2)16-10-12-20(13-11-16)25-22(27)17-6-8-18(9-7-17)23(28)26-21-5-3-4-19(24)14-21/h3-15H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 376.43 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).