4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide

C22H19FN2O2 — CID 109049592

IUPAC4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)c1
InChIInChI=1S/C22H19FN2O2/c1-14-3-12-20(15(2)13-14)25-22(27)17-6-4-16(5-7-17)21(26)24-19-10-8-18(23)9-11-19/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyQJJHIVLZRGIQTL-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.95
Rot. Bonds4

About 4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide

4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049592) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109049592
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)c1
InChIInChI=1S/C22H19FN2O2/c1-14-3-12-20(15(2)13-14)25-22(27)17-6-4-16(5-7-17)21(26)24-19-10-8-18(23)9-11-19/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyQJJHIVLZRGIQTL-UHFFFAOYSA-N
XLogP4.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide
CID 170976993
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049608
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (CID 109049592) is 4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is QJJHIVLZRGIQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-14-3-12-20(15(2)13-14)25-22(27)17-6-4-16(5-7-17)21(26)24-19-10-8-18(23)9-11-19/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 362.40 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).