N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide

C14H8FN3O3 — CID 78953284

IUPACN-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H8FN3O3/c15-11-5-10(6-13(7-11)18(20)21)14(19)17-12-3-1-9(8-16)2-4-12/h1-7H,(H,17,19)
InChIKeyLFLVGDKDUCTHFG-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.86
Rot. Bonds3

About N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide

N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide (PubChem CID 78953284) has the molecular formula C14H8FN3O3 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide
PubChem CID78953284
Molecular FormulaC14H8FN3O3
Molecular Weight285.23 g/mol
Exact Mass285.05
IUPAC NameN-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H8FN3O3/c15-11-5-10(6-13(7-11)18(20)21)14(19)17-12-3-1-9(8-16)2-4-12/h1-7H,(H,17,19)
InChIKeyLFLVGDKDUCTHFG-UHFFFAOYSA-N
XLogP2.86
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590
4-amino-N-(4-cyanophenyl)-3-nitrobenzamide
CID 60630970
N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 26906332
N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide
CID 78953369
3-bromo-N-(3-cyanophenyl)-5-nitrobenzamide
CID 81494856
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11632703

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide?
The IUPAC name of N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide (CID 78953284) is N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide is N#Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide?
The InChIKey is LFLVGDKDUCTHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3/c15-11-5-10(6-13(7-11)18(20)21)14(19)17-12-3-1-9(8-16)2-4-12/h1-7H,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide?
N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide has a molecular weight of 285.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide is sourced from PubChem (CID 78953284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).