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

C21H14FN3O2 — CID 109050204

IUPAC1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H14FN3O2/c22-17-2-1-3-19(12-17)25-21(27)16-8-6-15(7-9-16)20(26)24-18-10-4-14(13-23)5-11-18/h1-12H,(H,24,26)(H,25,27)
InChIKeyHCWGRRVXTAHRJW-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.20
Rot. Bonds4

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

1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109050204) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109050204
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC Name1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H14FN3O2/c22-17-2-1-3-19(12-17)25-21(27)16-8-6-15(7-9-16)20(26)24-18-10-4-14(13-23)5-11-18/h1-12H,(H,24,26)(H,25,27)
InChIKeyHCWGRRVXTAHRJW-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

N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050202
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide (CID 109050204) is 1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide is N#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1.
What is the InChIKey of 1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is HCWGRRVXTAHRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-17-2-1-3-19(12-17)25-21(27)16-8-6-15(7-9-16)20(26)24-18-10-4-14(13-23)5-11-18/h1-12H,(H,24,26)(H,25,27).
What are the key properties of 1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide?
1-N-(4-cyanophenyl)-4-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 1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109050204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).