N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide

C14H11FN4O — CID 62660804

IUPACN-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(F)c2NN)cc1
InChIInChI=1S/C14H11FN4O/c15-12-3-1-2-11(13(12)19-17)14(20)18-10-6-4-9(8-16)5-7-10/h1-7,19H,17H2,(H,18,20)
InChIKeyLGOQGXDVQMENKG-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.24
Rot. Bonds3

About N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide

N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide (PubChem CID 62660804) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
PubChem CID62660804
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC NameN-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(F)c2NN)cc1
InChIInChI=1S/C14H11FN4O/c15-12-3-1-2-11(13(12)19-17)14(20)18-10-6-4-9(8-16)5-7-10/h1-7,19H,17H2,(H,18,20)
InChIKeyLGOQGXDVQMENKG-UHFFFAOYSA-N
XLogP2.24
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide
CID 112990032
N-(2-cyano-3-fluorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660264
N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide
CID 62660783
N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660094
N-(4-cyanophenyl)-2-fluoro-6-hydroxybenzamide
CID 104917041
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
3-fluoro-2-hydrazinyl-N-pyridin-3-ylbenzamide
CID 62660800
N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide
CID 107578899
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
CID 62661688
N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide
CID 62662482
3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide (CID 62660804) is N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide is N#Cc1ccc(NC(=O)c2cccc(F)c2NN)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is LGOQGXDVQMENKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-12-3-1-2-11(13(12)19-17)14(20)18-10-6-4-9(8-16)5-7-10/h1-7,19H,17H2,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide?
N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 270.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 62660804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).