4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide

C22H19FN2O2 — CID 109049661

IUPAC4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H19FN2O2/c1-14-11-15(2)13-20(12-14)25-22(27)17-5-3-16(4-6-17)21(26)24-19-9-7-18(23)8-10-19/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyLNAKZJIKGMIWPP-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.95
Rot. Bonds4

About 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide

4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049661) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109049661
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H19FN2O2/c1-14-11-15(2)13-20(12-14)25-22(27)17-5-3-16(4-6-17)21(26)24-19-9-7-18(23)8-10-19/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyLNAKZJIKGMIWPP-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

1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
CID 26016677
N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
N-(3,5-dimethylphenyl)-4-formamidobenzamide
CID 168654127
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 904354
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (CID 109049661) is 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is Cc1cc(C)cc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is LNAKZJIKGMIWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-14-11-15(2)13-20(12-14)25-22(27)17-5-3-16(4-6-17)21(26)24-19-9-7-18(23)8-10-19/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
4-N-(3,5-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-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).