4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide

C21H17FN2O2 — CID 109049444

IUPAC4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H17FN2O2/c1-14-5-11-18(12-6-14)23-20(25)15-7-9-16(10-8-15)21(26)24-19-4-2-3-17(22)13-19/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyWFSLNPTVTWZPIN-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.64
Rot. Bonds4

About 4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide

4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049444) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049444
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H17FN2O2/c1-14-5-11-18(12-6-14)23-20(25)15-7-9-16(10-8-15)21(26)24-19-4-2-3-17(22)13-19/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyWFSLNPTVTWZPIN-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide (CID 109049444) is 4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1.
What is the InChIKey of 4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is WFSLNPTVTWZPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-14-5-11-18(12-6-14)23-20(25)15-7-9-16(10-8-15)21(26)24-19-4-2-3-17(22)13-19/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.64, 4 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-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).