N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide

C14H8FN3O3 — CID 43377431

IUPACN-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
SMILESN#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H8FN3O3/c15-12-6-5-10(18(20)21)7-11(12)14(19)17-13-4-2-1-3-9(13)8-16/h1-7H,(H,17,19)
InChIKeyCSJIYTSMVJUUHB-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.86
Rot. Bonds3

About N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide

N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide (PubChem CID 43377431) has the molecular formula C14H8FN3O3 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
PubChem CID43377431
Molecular FormulaC14H8FN3O3
Molecular Weight285.23 g/mol
Exact Mass285.05
IUPAC NameN-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
SMILESN#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H8FN3O3/c15-12-6-5-10(18(20)21)7-11(12)14(19)17-13-4-2-1-3-9(13)8-16/h1-7H,(H,17,19)
InChIKeyCSJIYTSMVJUUHB-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-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
CID 43377432
2-fluoro-N-(2-methylsulfanylphenyl)-5-nitrobenzamide
CID 61042259
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
CID 43377569
2-bromo-N-(2-cyano-4-nitrophenyl)benzamide
CID 60704050
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide?
The IUPAC name of N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide (CID 43377431) is N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide?
The canonical SMILES for N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide is N#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide?
The InChIKey is CSJIYTSMVJUUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3/c15-12-6-5-10(18(20)21)7-11(12)14(19)17-13-4-2-1-3-9(13)8-16/h1-7H,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide?
N-(2-cyanophenyl)-2-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-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide is sourced from PubChem (CID 43377431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).