3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide

C15H7ClFN3O — CID 103774874

IUPAC3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(Cl)c2F)cc1C#N
InChIInChI=1S/C15H7ClFN3O/c16-13-3-1-2-12(14(13)17)15(21)20-11-5-4-9(7-18)10(6-11)8-19/h1-6H,(H,20,21)
InChIKeyWUOIEDSARUKAAR-UHFFFAOYSA-N
MW299.69 g/mol
LogP3.47
Rot. Bonds2

About 3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide

3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide (PubChem CID 103774874) has the molecular formula C15H7ClFN3O and a molecular weight of 299.69 g/mol. Its IUPAC name is 3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide
PubChem CID103774874
Molecular FormulaC15H7ClFN3O
Molecular Weight299.69 g/mol
Exact Mass299.03
IUPAC Name3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(Cl)c2F)cc1C#N
InChIInChI=1S/C15H7ClFN3O/c16-13-3-1-2-12(14(13)17)15(21)20-11-5-4-9(7-18)10(6-11)8-19/h1-6H,(H,20,21)
InChIKeyWUOIEDSARUKAAR-UHFFFAOYSA-N
XLogP3.47
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide
CID 103990852
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084
N-(4-aminophenyl)-3-chloro-2-fluorobenzamide
CID 81267741
2-amino-N-(3,4-dicyanophenyl)-3-methylbenzamide
CID 107786827
3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114299948
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
N-(3,4-dicyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 103944404
N-(3,4-dicyanophenyl)-2-(methylamino)benzamide
CID 107791441
N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343561
3-(chloromethyl)-N-(3,4-dicyanophenyl)benzamide
CID 107788654
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide?
The IUPAC name of 3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide (CID 103774874) is 3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide is N#Cc1ccc(NC(=O)c2cccc(Cl)c2F)cc1C#N.
What is the InChIKey of 3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide?
The InChIKey is WUOIEDSARUKAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClFN3O/c16-13-3-1-2-12(14(13)17)15(21)20-11-5-4-9(7-18)10(6-11)8-19/h1-6H,(H,20,21).
What are the key properties of 3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide?
3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide has a molecular weight of 299.69 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide is sourced from PubChem (CID 103774874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).