N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide

C14H8FN3O3 — CID 78965091

IUPACN-(4-cyano-2-nitrophenyl)-2-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H8FN3O3/c15-11-4-2-1-3-10(11)14(19)17-12-6-5-9(8-16)7-13(12)18(20)21/h1-7H,(H,17,19)
InChIKeyOFXIZGGQLHBXFL-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.86
Rot. Bonds3

About N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide

N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide (PubChem CID 78965091) has the molecular formula C14H8FN3O3 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-cyano-2-nitrophenyl)-2-fluorobenzamide
PubChem CID78965091
Molecular FormulaC14H8FN3O3
Molecular Weight285.23 g/mol
Exact Mass285.05
IUPAC NameN-(4-cyano-2-nitrophenyl)-2-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H8FN3O3/c15-11-4-2-1-3-10(11)14(19)17-12-6-5-9(8-16)7-13(12)18(20)21/h1-7H,(H,17,19)
InChIKeyOFXIZGGQLHBXFL-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

4-cyano-2-fluoro-N-(4-methyl-2-nitrophenyl)benzamide
CID 17102128
2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide
CID 78965092
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
CID 103145312
4-cyano-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 2989901
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601732
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
CID 43377431
2-cyano-N-(4-cyano-2-nitrophenyl)propanamide
CID 107856935
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
6-amino-N-(4-cyano-2-nitrophenyl)hexanamide
CID 78965691

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide?
The IUPAC name of N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide (CID 78965091) is N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide is N#Cc1ccc(NC(=O)c2ccccc2F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide?
The InChIKey is OFXIZGGQLHBXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3/c15-11-4-2-1-3-10(11)14(19)17-12-6-5-9(8-16)7-13(12)18(20)21/h1-7H,(H,17,19).
What are the key properties of N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide?
N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide 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-cyano-2-nitrophenyl)-2-fluorobenzamide is sourced from PubChem (CID 78965091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).