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

C21H14FN3O2 — CID 109050202

IUPAC4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C21H14FN3O2/c22-17-5-3-6-18(12-17)24-20(26)14-8-10-15(11-9-14)21(27)25-19-7-2-1-4-16(19)13-23/h1-12H,(H,24,26)(H,25,27)
InChIKeyJWNUPMMNCROEJT-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.20
Rot. Bonds4

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

4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109050202) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109050202
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC Name4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C21H14FN3O2/c22-17-5-3-6-18(12-17)24-20(26)14-8-10-15(11-9-14)21(27)25-19-7-2-1-4-16(19)13-23/h1-12H,(H,24,26)(H,25,27)
InChIKeyJWNUPMMNCROEJT-UHFFFAOYSA-N
XLogP4.20
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109061815
4-N-(2-fluorophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049881
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151123
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049652
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
methyl 3-[[3-[(2-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057734
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057632

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide (CID 109050202) is 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide is N#Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is JWNUPMMNCROEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-17-5-3-6-18(12-17)24-20(26)14-8-10-15(11-9-14)21(27)25-19-7-2-1-4-16(19)13-23/h1-12H,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 359.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109050202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).