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

C21H13F2N3O2 — CID 109057784

IUPAC1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C21H13F2N3O2/c22-16-8-9-19(17(23)11-16)26-21(28)14-6-3-5-13(10-14)20(27)25-18-7-2-1-4-15(18)12-24/h1-11H,(H,25,27)(H,26,28)
InChIKeyLPRLRKZXXSXPBP-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.34
Rot. Bonds4

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

1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109057784) has the molecular formula C21H13F2N3O2 and a molecular weight of 377.35 g/mol. Its IUPAC name is 1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109057784
Molecular FormulaC21H13F2N3O2
Molecular Weight377.35 g/mol
Exact Mass377.10
IUPAC Name1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C21H13F2N3O2/c22-16-8-9-19(17(23)11-16)26-21(28)14-6-3-5-13(10-14)20(27)25-18-7-2-1-4-15(18)12-24/h1-11H,(H,25,27)(H,26,28)
InChIKeyLPRLRKZXXSXPBP-UHFFFAOYSA-N
XLogP4.34
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109178899
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050202
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318638
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156113
3-N-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057400
N-(2-cyanophenyl)-3-phenoxybenzamide
CID 17167885

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide (CID 109057784) is 1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide is N#Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is LPRLRKZXXSXPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3O2/c22-16-8-9-19(17(23)11-16)26-21(28)14-6-3-5-13(10-14)20(27)25-18-7-2-1-4-15(18)12-24/h1-11H,(H,25,27)(H,26,28).
What are the key properties of 1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 377.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).