3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide

C15H9FN4O — CID 107786862

IUPAC3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(F)c(N)c2)cc1C#N
InChIInChI=1S/C15H9FN4O/c16-13-4-2-9(6-14(13)19)15(21)20-12-3-1-10(7-17)11(5-12)8-18/h1-6H,19H2,(H,20,21)
InChIKeyLZUDBRPSBNWUFV-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.40
Rot. Bonds2

About 3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide

3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide (PubChem CID 107786862) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
PubChem CID107786862
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(F)c(N)c2)cc1C#N
InChIInChI=1S/C15H9FN4O/c16-13-4-2-9(6-14(13)19)15(21)20-12-3-1-10(7-17)11(5-12)8-18/h1-6H,19H2,(H,20,21)
InChIKeyLZUDBRPSBNWUFV-UHFFFAOYSA-N
XLogP2.40
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(3-amino-4-fluorophenyl)-4-nitrobenzamide
CID 63257606
3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
CID 39387577
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
CID 103944403
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide (CID 107786862) is 3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide is N#Cc1ccc(NC(=O)c2ccc(F)c(N)c2)cc1C#N.
What is the InChIKey of 3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide?
The InChIKey is LZUDBRPSBNWUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c16-13-4-2-9(6-14(13)19)15(21)20-12-3-1-10(7-17)11(5-12)8-18/h1-6H,19H2,(H,20,21).
What are the key properties of 3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide?
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide has a molecular weight of 280.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide is sourced from PubChem (CID 107786862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).