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

C22H19FN2O2 — CID 109049648

IUPAC4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1C
InChIInChI=1S/C22H19FN2O2/c1-14-6-11-20(12-15(14)2)25-22(27)17-9-7-16(8-10-17)21(26)24-19-5-3-4-18(23)13-19/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyYZQLSEJTOBRMQJ-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.95
Rot. Bonds4

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

4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049648) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109049648
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1C
InChIInChI=1S/C22H19FN2O2/c1-14-6-11-20(12-15(14)2)25-22(27)17-9-7-16(8-10-17)21(26)24-19-5-3-4-18(23)13-19/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyYZQLSEJTOBRMQJ-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-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
N-(3-fluorophenyl)-4-methyl-3-(methylamino)benzamide
CID 146654159
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141714
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide (CID 109049648) is 4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is YZQLSEJTOBRMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-14-6-11-20(12-15(14)2)25-22(27)17-9-7-16(8-10-17)21(26)24-19-5-3-4-18(23)13-19/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
4-N-(3,4-dimethylphenyl)-1-N-(3-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-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).